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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8N2S
Molecular Weight 176.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENETHIOL, 3-(1H-IMIDAZOL-5-YL)-

SMILES

SC1=CC=CC(=C1)C2=CN=CN2

InChI

InChIKey=GZDISEVTMUIDGB-UHFFFAOYSA-N
InChI=1S/C9H8N2S/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H8N2S
Molecular Weight 176.238
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 16:33:59 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:59 GMT 2023
Record UNII
HF7ZTD598U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENETHIOL, 3-(1H-IMIDAZOL-5-YL)-
Systematic Name English
3-(1H-IMIDAZOL-5-YL)BENZENETHIOL
Systematic Name English
Code System Code Type Description
FDA UNII
HF7ZTD598U
Created by admin on Sat Dec 16 16:33:59 GMT 2023 , Edited by admin on Sat Dec 16 16:33:59 GMT 2023
PRIMARY
PUBCHEM
24971327
Created by admin on Sat Dec 16 16:33:59 GMT 2023 , Edited by admin on Sat Dec 16 16:33:59 GMT 2023
PRIMARY
CAS
1048983-24-9
Created by admin on Sat Dec 16 16:33:59 GMT 2023 , Edited by admin on Sat Dec 16 16:33:59 GMT 2023
PRIMARY