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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H7N2S.Zn
Molecular Weight 391.848
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC 1,3-DIHYDRO-5-METHYL-2H-BENZIMIDAZOLE-2-THIONE

SMILES

[Zn++].CC1=CC=C2NC(=S)[N-]C2=C1.CC3=CC=C4NC(=S)[N-]C4=C3

InChI

InChIKey=AAECGGBJSLLYEK-UHFFFAOYSA-L
InChI=1S/2C8H8N2S.Zn/c2*1-5-2-3-6-7(4-5)10-8(11)9-6;/h2*2-4H,1H3,(H2,9,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H8N2S
Molecular Weight 164.228
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 08:08:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:08:57 GMT 2023
Record UNII
1E8E51W6BK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZINC 1,3-DIHYDRO-5-METHYL-2H-BENZIMIDAZOLE-2-THIONE
Systematic Name English
2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-5-METHYL-, ZINC SALT (2:1)
Systematic Name English
2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-5-METHYL-, ZINC SALT
Common Name English
Code System Code Type Description
CAS
107370-15-0
Created by admin on Sat Dec 16 08:08:57 GMT 2023 , Edited by admin on Sat Dec 16 08:08:57 GMT 2023
PRIMARY
PUBCHEM
101810537
Created by admin on Sat Dec 16 08:08:57 GMT 2023 , Edited by admin on Sat Dec 16 08:08:57 GMT 2023
PRIMARY
FDA UNII
1E8E51W6BK
Created by admin on Sat Dec 16 08:08:57 GMT 2023 , Edited by admin on Sat Dec 16 08:08:57 GMT 2023
PRIMARY