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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 – 15 of 19 results
1

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
2

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
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

2-Amino-4,5-dimethylthiazole hydrochloride, 97%

CAS: 71574-33-9 Molecular Formula: C5H9ClN2S Molecular Weight (g/mol): 164.651 MDL Number: MFCD00012711 InChI Key: XYTUTNQRQLAZLK-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazol-2-amine hydrochloride,2-amino-4,5-dimethylthiazole hydrochloride,4,5-dimethyl-1,3-thiazol-2-amine hydrochloride,dimethyl-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 4,5-dimethyl-, monohydrochloride,acmc-209oj8,ksc496i8r,4,5-dimethylthiazol-2-amine hcl salt,4,5-dimethylthiazol-2-amine hcl,2-amino-4,5-dimethyl thiazole hydrochloride PubChem CID: 16211387 IUPAC Name: 4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride SMILES: CC1=C(SC(=N1)N)C.Cl

PubChem CID 16211387
CAS 71574-33-9
Molecular Weight (g/mol) 164.651
MDL Number MFCD00012711
SMILES CC1=C(SC(=N1)N)C.Cl
Synonym 4,5-dimethylthiazol-2-amine hydrochloride,2-amino-4,5-dimethylthiazole hydrochloride,4,5-dimethyl-1,3-thiazol-2-amine hydrochloride,dimethyl-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 4,5-dimethyl-, monohydrochloride,acmc-209oj8,ksc496i8r,4,5-dimethylthiazol-2-amine hcl salt,4,5-dimethylthiazol-2-amine hcl,2-amino-4,5-dimethyl thiazole hydrochloride
IUPAC Name 4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
InChI Key XYTUTNQRQLAZLK-UHFFFAOYSA-N
Molecular Formula C5H9ClN2S
5

2-Aminothiazole, 97%

CAS: 96-50-4 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005325 InChI Key: RAIPHJJURHTUIC-UHFFFAOYSA-N Synonym: 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine PubChem CID: 2155 ChEBI: CHEBI:40782 IUPAC Name: 1,3-thiazol-2-amine SMILES: NC1=NC=CS1

PubChem CID 2155
CAS 96-50-4
Molecular Weight (g/mol) 100.14
ChEBI CHEBI:40782
MDL Number MFCD00005325
SMILES NC1=NC=CS1
Synonym 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine
IUPAC Name 1,3-thiazol-2-amine
InChI Key RAIPHJJURHTUIC-UHFFFAOYSA-N
Molecular Formula C3H4N2S
6

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
7

2-Aminothiazole, 97%

CAS: 96-50-4 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005325 InChI Key: RAIPHJJURHTUIC-UHFFFAOYSA-N Synonym: 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine PubChem CID: 2155 ChEBI: CHEBI:40782 IUPAC Name: 1,3-thiazol-2-amine SMILES: NC1=NC=CS1

PubChem CID 2155
CAS 96-50-4
Molecular Weight (g/mol) 100.14
ChEBI CHEBI:40782
MDL Number MFCD00005325
SMILES NC1=NC=CS1
Synonym 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine
IUPAC Name 1,3-thiazol-2-amine
InChI Key RAIPHJJURHTUIC-UHFFFAOYSA-N
Molecular Formula C3H4N2S
8

2-(Methylthio)-4,5-dihydro-1H-imidazole hydrobromide, Thermo Scientific™

CAS: 40241-78-9 Molecular Formula: C4H9BrN2S Molecular Weight (g/mol): 197.094 MDL Number: MFCD01570110 InChI Key: UPISCLUJZRQPPJ-UHFFFAOYSA-N Synonym: 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1 PubChem CID: 2777335 IUPAC Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide SMILES: CSC1=NCCN1.Br

PubChem CID 2777335
CAS 40241-78-9
Molecular Weight (g/mol) 197.094
MDL Number MFCD01570110
SMILES CSC1=NCCN1.Br
Synonym 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1
IUPAC Name 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
InChI Key UPISCLUJZRQPPJ-UHFFFAOYSA-N
Molecular Formula C4H9BrN2S
9

Sigma Aldrich 3-methyl-3-(4-methylphenyl)butanoic acid

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10

Sigma Aldrich 6-Nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

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11

Sigma Aldrich 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride

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12

Sigma Aldrich Fine Chemicals Biosciences 2-(2-Aminoethyl)isothiourea dihydrobromide | 56-10-0 | MFCD00037011 | 25G

2-(2-Aminoethyl)isothiourea dihydrobromide | Purity: >=98% (TLC) | Mol Wt: 281.01 | 56-10-0 | MFCD00037011 | 25G

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13

Cayman Chemical S-ethyl Isothiourea hydrobro
SDP

SEIT is a potent inhibitor of NOS in vitro but lacks good in vivo efficacy due to poor cellular penetration. The Ki values are 19, 39, and 29 nM using purified human iNOS, eNOS, and nNOS, respectively.{1292,1351,2259}

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14

Cayman Chemical S-isopropyl Isothiourea hydr
SDP

IPTU is a potent inhibitor of NOS in vitro but may lack good in vivo efficacy due to poor cellular penetration. The Ki values are 9.8, 22, and 37 nM using purified human iNOS, eNOS, and nNOS, respectively.{1292}

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15

eMolecules​ Methyl aminomethanimidothioate hydroiodide | 4338-95-8 | 1G | Purity: 98%

Combi-Blocks | Methyl aminomethanimidothioate hydroiodide | 1G | 4338-95-8 | MFCD00035598

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