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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10N6S2.2ClH
Molecular Weight 303.236
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 dihydrochloride

SMILES

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

InChI

InChIKey=FTKAAVQOOXXUGW-UHFFFAOYSA-N
InChI=1S/C6H10N6S2.2ClH/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);2*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 19:18:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:18:20 GMT 2023
Record UNII
3PZ8U72L9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-((Diaminomethylidene)amino)thiazol-4-yl)methyl carbamimidothioate dihydrochloride
Systematic Name English
Carbamimidothioic acid, [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester, dihydrochloride
Systematic Name English
(S)-((2-Guanidino-4-thiazolyl) methyl-isothiourea dihydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901335754
Created by admin on Sat Dec 16 19:18:20 GMT 2023 , Edited by admin on Sat Dec 16 19:18:20 GMT 2023
PRIMARY
FDA UNII
3PZ8U72L9W
Created by admin on Sat Dec 16 19:18:20 GMT 2023 , Edited by admin on Sat Dec 16 19:18:20 GMT 2023
PRIMARY
CAS
88046-01-9
Created by admin on Sat Dec 16 19:18:20 GMT 2023 , Edited by admin on Sat Dec 16 19:18:20 GMT 2023
PRIMARY
PUBCHEM
11289662
Created by admin on Sat Dec 16 19:18:20 GMT 2023 , Edited by admin on Sat Dec 16 19:18:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE