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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO2S
Molecular Weight 195.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOSYLACETONITRILE

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC#N

InChI

InChIKey=BBNNLJMGPASZPD-UHFFFAOYSA-N
InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-125922
Preferred Name English
TOSYLACETONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
3XRA8X3VVZ
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
CAS
5697-44-9
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
227-173-7
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID90205547
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
NSC
125922
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
PUBCHEM
79776
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY