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Isothioureas

Organosulfur compounds that are isomers of thiourea where the double bond is between carbon and nitrogen instead of between carbon and sulfur; thioureas are structurally similar to urea, except that the oxygen atom is replaced by a sulfur atom.

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1

N,S-Dimethylisothiouronium hydriodide, 98%

CAS: 41306-45-0 Molecular Formula: C3H9IN2S Molecular Weight (g/mol): 232.083 MDL Number: MFCD00192092 InChI Key: UDUMWDDMSHXGGQ-UHFFFAOYSA-N Synonym: 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide PubChem CID: 12263909 IUPAC Name: methyl N'-methylcarbamimidothioate;hydroiodide SMILES: CN=C(N)SC.I

PubChem CID 12263909
CAS 41306-45-0
Molecular Weight (g/mol) 232.083
MDL Number MFCD00192092
SMILES CN=C(N)SC.I
Synonym 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide
IUPAC Name methyl N'-methylcarbamimidothioate;hydroiodide
InChI Key UDUMWDDMSHXGGQ-UHFFFAOYSA-N
Molecular Formula C3H9IN2S
2

S-(2-Aminoethyl)isothiourea dihydrobromide, 98%

CAS: 56-10-0 Molecular Formula: C3H11Br2N3S Molecular Weight (g/mol): 281.01 MDL Number: MFCD00037011 InChI Key: XDVMCVGTDUKDHL-UHFFFAOYSA-N Synonym: 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide PubChem CID: 5940 IUPAC Name: 2-aminoethyl carbamimidothioate;dihydrobromide SMILES: C(CSC(=N)N)N.Br.Br

PubChem CID 5940
CAS 56-10-0
Molecular Weight (g/mol) 281.01
MDL Number MFCD00037011
SMILES C(CSC(=N)N)N.Br.Br
Synonym 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide
IUPAC Name 2-aminoethyl carbamimidothioate;dihydrobromide
InChI Key XDVMCVGTDUKDHL-UHFFFAOYSA-N
Molecular Formula C3H11Br2N3S
3

Imetit dihydrobromide, 98%

CAS: 32385-58-3 Molecular Formula: C6H12Br2N4S Molecular Weight (g/mol): 332.06 MDL Number: MFCD00153816 InChI Key: DOBOYMKCRRLTRF-UHFFFAOYSA-N Synonym: imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide PubChem CID: 11957573 ChEBI: CHEBI:64151 IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide SMILES: Br.Br.NC(=N)SCCC1=CN=CN1

PubChem CID 11957573
CAS 32385-58-3
Molecular Weight (g/mol) 332.06
ChEBI CHEBI:64151
MDL Number MFCD00153816
SMILES Br.Br.NC(=N)SCCC1=CN=CN1
Synonym imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide
IUPAC Name 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide
InChI Key DOBOYMKCRRLTRF-UHFFFAOYSA-N
Molecular Formula C6H12Br2N4S
4

Methyl aminomethanimidothioate hydroiodide, 95%, Thermo Scientific™

CAS: 4338-95-8 Molecular Formula: C2H7IN2S Molecular Weight (g/mol): 218.06 MDL Number: MFCD00035598 InChI Key: LFXAECSQJSRSTP-UHFFFAOYSA-N Synonym: methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide PubChem CID: 197812 SMILES: [H+].[I-].CSC(N)=N

PubChem CID 197812
CAS 4338-95-8
Molecular Weight (g/mol) 218.06
MDL Number MFCD00035598
SMILES [H+].[I-].CSC(N)=N
Synonym methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide
InChI Key LFXAECSQJSRSTP-UHFFFAOYSA-N
Molecular Formula C2H7IN2S
5

VUF 8430 dihydrobromide, Tocris Bioscience™
GREENER_CHOICE

CAS: 100130-32-3 Molecular Formula: C4H13Br2N5S Molecular Weight (g/mol): 323.051 InChI Key: GPWJSTKHQMIXCA-UHFFFAOYSA-N Synonym: vuf 8430 dihydrobromide,pseudourea, 2-2-guanidinoethyl-2-thio-, dihydrobromide,s-2-guanidylethyl-isothiourea,s,2-guanidinoethylisothiuronium bromide hydrobromide,carbamimidothioic acid, 2-aminoiminomethyl amino ethyl ester, dihydrobromide,2-2-guanidinoethyl-2-thiopseudourea dihydrobromide,2-aminoiminomethyl amino ethyl carbamimidothioic acid ester,carbamimidothioic acid,2-aminoiminomethyl amino ethyl ester, dihydrobromide 9ci,2-carbamimidoylsulfanyl ethaneguanidine dihydrobromide,acmc-20m37r PubChem CID: 3063227 IUPAC Name: 2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide SMILES: C(CSC(=N)N)N=C(N)N.Br.Br

PubChem CID 3063227
CAS 100130-32-3
Molecular Weight (g/mol) 323.051
SMILES C(CSC(=N)N)N=C(N)N.Br.Br
Synonym vuf 8430 dihydrobromide,pseudourea, 2-2-guanidinoethyl-2-thio-, dihydrobromide,s-2-guanidylethyl-isothiourea,s,2-guanidinoethylisothiuronium bromide hydrobromide,carbamimidothioic acid, 2-aminoiminomethyl amino ethyl ester, dihydrobromide,2-2-guanidinoethyl-2-thiopseudourea dihydrobromide,2-aminoiminomethyl amino ethyl carbamimidothioic acid ester,carbamimidothioic acid,2-aminoiminomethyl amino ethyl ester, dihydrobromide 9ci,2-carbamimidoylsulfanyl ethaneguanidine dihydrobromide,acmc-20m37r
IUPAC Name 2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide
InChI Key GPWJSTKHQMIXCA-UHFFFAOYSA-N
Molecular Formula C4H13Br2N5S