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Details

Stereochemistry ACHIRAL
Molecular Formula C3H5NO2S
Molecular Weight 119.142
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESYLACETONITRILE

SMILES

CS(=O)(=O)CC#N

InChI

InChIKey=FOTRKCAZUSJCQD-UHFFFAOYSA-N
InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3

HIDE SMILES / InChI

Molecular Formula C3H5NO2S
Molecular Weight 119.142
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 Tue Apr 01 18:53:50 GMT 2025
Edited
by admin
on Tue Apr 01 18:53:50 GMT 2025
Record UNII
H5U7X5ZYL7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MESYLACETONITRILE
Systematic Name English
NSC-207832
Preferred Name English
2-(METHYLSULFONYL)ACETONITRILE
Systematic Name English
2-METHYLSULFONYLACETONITRILE
Systematic Name English
ACETONITRILE, 2-(METHYLSULFONYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40177280
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY
PUBCHEM
75283
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY
NSC
207832
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY
FDA UNII
H5U7X5ZYL7
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY
CAS
2274-42-2
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY
CHEBI
32444
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-888-5
Created by admin on Tue Apr 01 18:53:50 GMT 2025 , Edited by admin on Tue Apr 01 18:53:50 GMT 2025
PRIMARY