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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6N2OS
Molecular Weight 190.222
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-OXO-3(2H)-BENZOTHIAZOLACETONITRILE

SMILES

O=C1SC2=C(C=CC=C2)N1CC#N

InChI

InChIKey=TXOKQMSSJAIOPM-UHFFFAOYSA-N
InChI=1S/C9H6N2OS/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,6H2

HIDE SMILES / InChI

Molecular Formula C9H6N2OS
Molecular Weight 190.222
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:57:11 GMT 2025
Edited
by admin
on Mon Mar 31 18:57:11 GMT 2025
Record UNII
8J811U85U2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3(2H)-BENZOTHIAZOLEACETONITRILE, 2-OXO-
Preferred Name English
2-OXO-3(2H)-BENZOTHIAZOLACETONITRILE
Systematic Name English
OXO-3(2H)-BENZOTHIAZOLACETONITRILE, 2-
Systematic Name English
Code System Code Type Description
FDA UNII
8J811U85U2
Created by admin on Mon Mar 31 18:57:11 GMT 2025 , Edited by admin on Mon Mar 31 18:57:11 GMT 2025
PRIMARY
CAS
61516-68-5
Created by admin on Mon Mar 31 18:57:11 GMT 2025 , Edited by admin on Mon Mar 31 18:57:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID9041445
Created by admin on Mon Mar 31 18:57:11 GMT 2025 , Edited by admin on Mon Mar 31 18:57:11 GMT 2025
PRIMARY
PUBCHEM
93334
Created by admin on Mon Mar 31 18:57:11 GMT 2025 , Edited by admin on Mon Mar 31 18:57:11 GMT 2025
PRIMARY