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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10OS
Molecular Weight 166.24
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-(Methylthio)phenyl)ethanone

SMILES

CSC1=CC=C(C=C1)C(C)=O

InChI

InChIKey=JECUZQLBQKNEMW-UHFFFAOYSA-N
InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10OS
Molecular Weight 166.24
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 19:25:45 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:45 GMT 2025
Record UNII
FN9JM37X2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-(Methylthio)phenyl)ethanone
Systematic Name English
4'-(METHYLMERCAPTO)ACETOPHENONE
Preferred Name English
1-Acetyl-4-(methylthio)benzene
Systematic Name English
p-Acetylphenyl methyl sulfide
Common Name English
p-(Methylthio)acetophenone
Systematic Name English
Ethanone, 1-[4-(methylthio)phenyl]-
Systematic Name English
1-[4-(Methylsulfanyl)phenyl]ethan-1-one
Systematic Name English
4-(Methylsulfenyl)acetophenone
Systematic Name English
4-Acetylphenyl methyl sulfide
Common Name English
NSC-403927
Code English
Code System Code Type Description
EPA CompTox
DTXSID3075129
Created by admin on Tue Apr 01 19:25:45 GMT 2025 , Edited by admin on Tue Apr 01 19:25:45 GMT 2025
PRIMARY
NSC
403927
Created by admin on Tue Apr 01 19:25:45 GMT 2025 , Edited by admin on Tue Apr 01 19:25:45 GMT 2025
PRIMARY
CAS
1778-09-2
Created by admin on Tue Apr 01 19:25:45 GMT 2025 , Edited by admin on Tue Apr 01 19:25:45 GMT 2025
PRIMARY
FDA UNII
FN9JM37X2P
Created by admin on Tue Apr 01 19:25:45 GMT 2025 , Edited by admin on Tue Apr 01 19:25:45 GMT 2025
PRIMARY
PUBCHEM
74501
Created by admin on Tue Apr 01 19:25:45 GMT 2025 , Edited by admin on Tue Apr 01 19:25:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-213-1
Created by admin on Tue Apr 01 19:25:45 GMT 2025 , Edited by admin on Tue Apr 01 19:25:45 GMT 2025
PRIMARY