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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4NS2.K
Molecular Weight 205.342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 2-MERCAPTOBENZOTHIAZOLE

SMILES

[K+].S=C1[N-]C2=CC=CC=C2S1

InChI

InChIKey=ZKTKNAXWCMIKLK-UHFFFAOYSA-M
InChI=1S/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:45 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:45 GMT 2023
Record UNII
NV0GQ9IQ38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM 2-MERCAPTOBENZOTHIAZOLE
Systematic Name English
2-BENZOTHIAZOLETHIOL, POTASSIUM SALT
Common Name English
2(3H)-BENZOTHIAZOLETHIONE, POTASSIUM SALT
Common Name English
NSC-166397
Code English
2(3H)-BENZOTHIAZOLETHIONE, POTASSIUM SALT (1:1)
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 51707
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
231-910-8
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
NSC
166397
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
CAS
7778-70-3
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
FDA UNII
NV0GQ9IQ38
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
PUBCHEM
23679264
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID0041432
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
CFR
21 CFR 176.300
Created by admin on Fri Dec 15 19:51:45 GMT 2023 , Edited by admin on Fri Dec 15 19:51:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE