U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H4NS2.Cu
Molecular Weight 396.033
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CUPRIC 2-MERCAPTOBENZOTHIAZOLE

SMILES

[Cu++].S=C1[N-]C2=C(S1)C=CC=C2.S=C3[N-]C4=C(S3)C=CC=C4

InChI

InChIKey=VURZAXVELVEAAN-UHFFFAOYSA-L
InChI=1S/2C7H5NS2.Cu/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C7H5NS2
Molecular Weight 167.251
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cu
Molecular Weight 63.546
Charge 2
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 Mon Mar 31 19:53:56 GMT 2025
Edited
by admin
on Mon Mar 31 19:53:56 GMT 2025
Record UNII
DH7RU687QX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOTHIAZOLE-2(3H)-THIONE, COPPER SALT (2+)
Preferred Name English
CUPRIC 2-MERCAPTOBENZOTHIAZOLE
Common Name English
COPPER MERCAPTOBENZOTHIAZOLE
Systematic Name English
Code System Code Type Description
CAS
4162-43-0
Created by admin on Mon Mar 31 19:53:56 GMT 2025 , Edited by admin on Mon Mar 31 19:53:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-004-9
Created by admin on Mon Mar 31 19:53:56 GMT 2025 , Edited by admin on Mon Mar 31 19:53:56 GMT 2025
PRIMARY
FDA UNII
DH7RU687QX
Created by admin on Mon Mar 31 19:53:56 GMT 2025 , Edited by admin on Mon Mar 31 19:53:56 GMT 2025
PRIMARY
PUBCHEM
77818
Created by admin on Mon Mar 31 19:53:56 GMT 2025 , Edited by admin on Mon Mar 31 19:53:56 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE