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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H15NO3S
Molecular Weight 289.35
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(6-METHYLPYRIDIN-3-YL)-2-(4-(METHYLSULFONYL)PHENYL)ETHANONE

SMILES

CC1=CC=C(C=N1)C(=O)CC2=CC=C(C=C2)S(C)(=O)=O

InChI

InChIKey=YBFHILNBYXCJKD-UHFFFAOYSA-N
InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H15NO3S
Molecular Weight 289.35
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 Fri Dec 15 15:58:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:58:48 UTC 2023
Record UNII
RCYJMCPV68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(6-METHYLPYRIDIN-3-YL)-2-(4-(METHYLSULFONYL)PHENYL)ETHANONE
Systematic Name English
ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-2-(4-(METHYLSULFONYL)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
RCYJMCPV68
Created by admin on Fri Dec 15 15:58:48 UTC 2023 , Edited by admin on Fri Dec 15 15:58:48 UTC 2023
PRIMARY
CAS
221615-75-4
Created by admin on Fri Dec 15 15:58:48 UTC 2023 , Edited by admin on Fri Dec 15 15:58:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID90432937
Created by admin on Fri Dec 15 15:58:48 UTC 2023 , Edited by admin on Fri Dec 15 15:58:48 UTC 2023
PRIMARY
PUBCHEM
9925991
Created by admin on Fri Dec 15 15:58:48 UTC 2023 , Edited by admin on Fri Dec 15 15:58:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY