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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N2O3S3
Molecular Weight 318.435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((2-(ETHYLTHIO)ETHYL)THIO)-1H-BENZIMIDAZOLE-5-SULFONIC ACID

SMILES

CCSCCSC1=NC2=C(N1)C=CC(=C2)S(O)(=O)=O

InChI

InChIKey=UJPJKGTWFDTGSN-UHFFFAOYSA-N
InChI=1S/C11H14N2O3S3/c1-2-17-5-6-18-11-12-9-4-3-8(19(14,15)16)7-10(9)13-11/h3-4,7H,2,5-6H2,1H3,(H,12,13)(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C11H14N2O3S3
Molecular Weight 318.435
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 12:33:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:26 GMT 2023
Record UNII
EM6Q9V817G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((2-(ETHYLTHIO)ETHYL)THIO)-1H-BENZIMIDAZOLE-5-SULFONIC ACID
Systematic Name English
1H-BENZIMIDAZOLE-6-SULFONIC ACID, 2-((2-(ETHYLTHIO)ETHYL)THIO)-
Systematic Name English
2-(2-ETHYLTHIOETHYLTHIO)-5-SULFOBENZIMIDAZOLE
Systematic Name English
2-(2-ETHYLSULFANYLETHYLSULFANYL)-3H-BENZIMIDAZOLE-5-SULFONIC ACID
Systematic Name English
Code System Code Type Description
CAS
29490-12-8
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-666-6
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID30183693
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
PRIMARY
PUBCHEM
122395
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
PRIMARY
FDA UNII
EM6Q9V817G
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
PRIMARY