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Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.
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1 – 15 of 36 results
1

Taurine, 99%

CAS: 107-35-7 Molecular Formula: C2H7NO3S Molecular Weight (g/mol): 125.14 MDL Number: MFCD00008197 InChI Key: XOAAWQZATWQOTB-UHFFFAOYSA-N Synonym: taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid PubChem CID: 1123 ChEBI: CHEBI:15891 IUPAC Name: 2-aminoethanesulfonic acid SMILES: NCCS(O)(=O)=O

EDGE
PubChem CID 1123
CAS 107-35-7
Molecular Weight (g/mol) 125.14
ChEBI CHEBI:15891
MDL Number MFCD00008197
SMILES NCCS(O)(=O)=O
Synonym taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid
IUPAC Name 2-aminoethanesulfonic acid
InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Molecular Formula C2H7NO3S
2

Trifluoromethanesulfonic acid, 98+%

CAS: 1493-13-6 Molecular Formula: CHF3O3S Molecular Weight (g/mol): 150.07 MDL Number: MFCD00007514 InChI Key: ITMCEJHCFYSIIV-UHFFFAOYSA-N Synonym: triflic acid,perfluoromethanesulfonic acid,trifluoromethanesulphonic acid,tfmsa,trifluoromethane sulfonic acid,tfoh,methanesulfonic acid, trifluoro,hotf,trifluoromethylsulfonic acid,trimsylate PubChem CID: 62406 ChEBI: CHEBI:48511 IUPAC Name: trifluoromethanesulfonic acid SMILES: OS(=O)(=O)C(F)(F)F

PubChem CID 62406
CAS 1493-13-6
Molecular Weight (g/mol) 150.07
ChEBI CHEBI:48511
MDL Number MFCD00007514
SMILES OS(=O)(=O)C(F)(F)F
Synonym triflic acid,perfluoromethanesulfonic acid,trifluoromethanesulphonic acid,tfmsa,trifluoromethane sulfonic acid,tfoh,methanesulfonic acid, trifluoro,hotf,trifluoromethylsulfonic acid,trimsylate
IUPAC Name trifluoromethanesulfonic acid
InChI Key ITMCEJHCFYSIIV-UHFFFAOYSA-N
Molecular Formula CHF3O3S
3

Bismuth(III) trifluoromethanesulfonate, 99%

CAS: 88189-03-1 Molecular Formula: C3BiF9O9S3 Molecular Weight (g/mol): 656.17 MDL Number: MFCD02093669 InChI Key: NYENCOMLZDQKNH-UHFFFAOYSA-K Synonym: bismuth iii trifluoromethanesulfonate,bismuth triflate,bismuth trifluoromethanesulfonate,bismuth 3+ triflate,bismuth triflate mi,bismuth 3+ trifluoromethanesulfonate,bismuth tris trifluoromethanesulfonate,bismuth iii triflate,bismuth 3+ ion tritriflate PubChem CID: 9917655 IUPAC Name: bismuth;trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Bi+3]

PubChem CID 9917655
CAS 88189-03-1
Molecular Weight (g/mol) 656.17
MDL Number MFCD02093669
SMILES C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Bi+3]
Synonym bismuth iii trifluoromethanesulfonate,bismuth triflate,bismuth trifluoromethanesulfonate,bismuth 3+ triflate,bismuth triflate mi,bismuth 3+ trifluoromethanesulfonate,bismuth tris trifluoromethanesulfonate,bismuth iii triflate,bismuth 3+ ion tritriflate
IUPAC Name bismuth;trifluoromethanesulfonate
InChI Key NYENCOMLZDQKNH-UHFFFAOYSA-K
Molecular Formula C3BiF9O9S3
4

Trifluoromethanesulfonic acid, 99%, extra pure

CAS: 1493-13-6 Molecular Formula: CHF3O3S Molecular Weight (g/mol): 150.07 MDL Number: MFCD00007514 InChI Key: ITMCEJHCFYSIIV-UHFFFAOYSA-N Synonym: trifluoromethanesulphonic acid,trimsylate,methanesulfonic acid, trifluoro,triflic acid,trifluoromethylsulfonic acid,perfluoromethanesulfonic acid,tfoh,trifluoromethane sulfonic acid,tfmsa,hotf PubChem CID: 62406 ChEBI: CHEBI:48511 SMILES: OS(=O)(=O)C(F)(F)F

PubChem CID 62406
CAS 1493-13-6
Molecular Weight (g/mol) 150.07
ChEBI CHEBI:48511
MDL Number MFCD00007514
SMILES OS(=O)(=O)C(F)(F)F
Synonym trifluoromethanesulphonic acid,trimsylate,methanesulfonic acid, trifluoro,triflic acid,trifluoromethylsulfonic acid,perfluoromethanesulfonic acid,tfoh,trifluoromethane sulfonic acid,tfmsa,hotf
InChI Key ITMCEJHCFYSIIV-UHFFFAOYSA-N
Molecular Formula CHF3O3S
5

Fasudil dihydrochloride, 99+%

CAS: 203911-27-7 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00153805 InChI Key: NOXXIYDYFSNHDF-UHFFFAOYSA-N PubChem CID: 16219471 IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;dihydrochloride SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

PubChem CID 16219471
CAS 203911-27-7
Molecular Weight (g/mol) 364.285
MDL Number MFCD00153805
SMILES C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
IUPAC Name 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;dihydrochloride
InChI Key NOXXIYDYFSNHDF-UHFFFAOYSA-N
Molecular Formula C14H19Cl2N3O2S
6

Methanesulfonamide, 97+%

CAS: 3144-09-0 Molecular Formula: CH5NO2S Molecular Weight (g/mol): 95.12 MDL Number: MFCD00007940 InChI Key: HNQIVZYLYMDVSB-UHFFFAOYSA-N Synonym: methylsulfonamide,methane sulfonamide,methanesulphonamide,methansulfonamid,methyl sulfonamide,aminosulfane dioxide,methyl sulfonylamine,ch3so2nh2,mesylamine,methansulfonamide PubChem CID: 72879 IUPAC Name: methanesulfonamide SMILES: CS(N)(=O)=O

PubChem CID 72879
CAS 3144-09-0
Molecular Weight (g/mol) 95.12
MDL Number MFCD00007940
SMILES CS(N)(=O)=O
Synonym methylsulfonamide,methane sulfonamide,methanesulphonamide,methansulfonamid,methyl sulfonamide,aminosulfane dioxide,methyl sulfonylamine,ch3so2nh2,mesylamine,methansulfonamide
IUPAC Name methanesulfonamide
InChI Key HNQIVZYLYMDVSB-UHFFFAOYSA-N
Molecular Formula CH5NO2S
7

KN-62

CAS: 127191-97-3 Molecular Formula: C38H35N5O6S2 Molecular Weight (g/mol): 721.85 MDL Number: MFCD00083180 InChI Key: RJVLFQBBRSMWHX-UHFFFAOYNA-N Synonym: s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester PubChem CID: 5312126 IUPAC Name: [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate SMILES: CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1

PubChem CID 5312126
CAS 127191-97-3
Molecular Weight (g/mol) 721.85
MDL Number MFCD00083180
SMILES CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1
Synonym s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester
IUPAC Name [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
InChI Key RJVLFQBBRSMWHX-UHFFFAOYNA-N
Molecular Formula C38H35N5O6S2
9

2-Mercaptoethane sulfonic acid sodium salt, 96%

CAS: 19767-45-4 Molecular Formula: C2H5NaO3S2 Molecular Weight (g/mol): 164.169 MDL Number: MFCD00007535 InChI Key: XOGTZOOQQBDUSI-UHFFFAOYSA-M Synonym: mesna,sodium 2-mercaptoethanesulfonate,mesnex,uromitexan,mitexan,2-mercaptoethanesulfonic acid sodium salt,mistabron,mesnum,mistabronco,mucofluid PubChem CID: 23662354 IUPAC Name: sodium;2-sulfanylethanesulfonate SMILES: C(CS(=O)(=O)[O-])S.[Na+]

PubChem CID 23662354
CAS 19767-45-4
Molecular Weight (g/mol) 164.169
MDL Number MFCD00007535
SMILES C(CS(=O)(=O)[O-])S.[Na+]
Synonym mesna,sodium 2-mercaptoethanesulfonate,mesnex,uromitexan,mitexan,2-mercaptoethanesulfonic acid sodium salt,mistabron,mesnum,mistabronco,mucofluid
IUPAC Name sodium;2-sulfanylethanesulfonate
InChI Key XOGTZOOQQBDUSI-UHFFFAOYSA-M
Molecular Formula C2H5NaO3S2
10

Taurine, 99%

CAS: 107-35-7 Molecular Formula: C2H7NO3S Molecular Weight (g/mol): 125.14 MDL Number: MFCD00008197 InChI Key: XOAAWQZATWQOTB-UHFFFAOYSA-N Synonym: taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid PubChem CID: 1123 ChEBI: CHEBI:15891 IUPAC Name: 2-aminoethanesulfonic acid SMILES: NCCS(O)(=O)=O

PubChem CID 1123
CAS 107-35-7
Molecular Weight (g/mol) 125.14
ChEBI CHEBI:15891
MDL Number MFCD00008197
SMILES NCCS(O)(=O)=O
Synonym taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid
IUPAC Name 2-aminoethanesulfonic acid
InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Molecular Formula C2H7NO3S
11

Metamizole sodium hydrate, MedChemExpress

MedChemExpress Metamizole sodium hydrate is a potent analgesic drug that has been demonstrated to inhibit cyclooxygenase (COX)[1].

ENCOMPASS_PREFERRED
12

Mirogabalin besylate, MedChemExpress

MedChemExpress Mirogabalin besylate is a selective and orally available ligand for the α2δ subunit of voltage-gated calcium channels, with Kds of 13.5 nM, 22.7 nM, 27 nM, and 47.6 nM for human α2δ-1, human α2δ-2, rat α2δ-1, and rat α2δ-2, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 367.46
Color White
Physical Form Solid
Chemical Name or Material Mirogabalin besylate
Grade Research
SMILES O=S(C1=CC=CC=C1)(O)=O.OC(C[C@@]2([C@@]3([H])[C@@](CC(CC)=C3)([H])C2)CN)=O
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 98.0%
CAS 1138245-21-2
Solubility Information DMSO : 125 mg/mL (340.17 mM; Need ultrasonic)
Synonym DS 5565 besylate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C18H25NO5S
Formula Weight 367.46
13

LGD-6972, MedChemExpress

MedChemExpress LGD-6972 is a selective and orally active glucagon receptor antagonist. LGD-6972 has the potential for type 2 diabetes research.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 702.9
Color White
Physical Form Solid
Chemical Name or Material LGD-6972
Grade Research
SMILES O=C(NCCS(=O)(O)=O)C1=CC=C(C[C@H](C2=CC=C(C3=CC=C(C(C)(C)C)C=C3)C=C2)C(NC4=CC=C(C5=C(C)C=C(C)C=C5C)C=C4)=O)C=C1
For Use With (Application) Metabolism-sugar/lipid metabolism
Percent Purity 98.0%
CAS 1207989-09-0
Solubility Information DMSO : 125 mg/mL (177.83 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C43H46N2O5S
Formula Weight 702.9
14

Sodium gualenate, MedChemExpress

MedChemExpress Sodium gualenate (Guaiazulenesulfonate sodium) is a hydrophilic derivative of guaiazulene with excellent anti-inflammatory and wound-healing effects mainly used for the treatment of duodenal ulcer, gastric ulcer and gastritis.

ENCOMPASS_PREFERRED
15

PF-04217903 methanesulfonate, MedChemExpress

MedChemExpress PF-04217903 methanesulfonate is a potent ATP-competitive c-Met kinase inhibitor with Ki of 4.8 nM for human c-Met. PF-04217903 methanesulfonate shows more than 1,000-fold selectivity relative to 208 kinases. Antiangiogenic properties.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 468.49
Color White
Physical Form Solid
Chemical Name or Material PF-04217903 methanesulfonate
Grade Research
SMILES OCCN1N=CC(C2=NC3=C(N=C2)N=NN3CC4=CC5=CC=CN=C5C=C4)=C1.CS(=O)(O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.87%
CAS 956906-93-7
Solubility Information DMSO : 50 mg/mL (106.73 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C20H20N8O4S
Formula Weight 468.49