U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10N6S2.ClH
Molecular Weight 266.775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-((Diaminomethylidene)amino)thiazol-4-yl)methyl carbamimidothioate hydrochloride

SMILES

Cl.NC(=N)NC1=NC(CSC(N)=N)=CS1

InChI

InChIKey=DMXJVYCDETXZRR-UHFFFAOYSA-N
InChI=1S/C6H10N6S2.ClH/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10;/h2H,1H2,(H3,9,10)(H4,7,8,11,12);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H10N6S2
Molecular Weight 230.314
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:16:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:16:28 GMT 2023
Record UNII
2WQ73L29PJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-((Diaminomethylidene)amino)thiazol-4-yl)methyl carbamimidothioate hydrochloride
Systematic Name English
Carbamimidothioic acid, [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester, hydrochloride (1:1)
Systematic Name English
Carbamimidothioic acid, [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester, monohydrochloride
Systematic Name English
[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl crbamimidothioate hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23056951
Created by admin on Sat Dec 16 19:16:28 GMT 2023 , Edited by admin on Sat Dec 16 19:16:28 GMT 2023
PRIMARY
CAS
124646-05-5
Created by admin on Sat Dec 16 19:16:28 GMT 2023 , Edited by admin on Sat Dec 16 19:16:28 GMT 2023
PRIMARY
FDA UNII
2WQ73L29PJ
Created by admin on Sat Dec 16 19:16:28 GMT 2023 , Edited by admin on Sat Dec 16 19:16:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE