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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H12O2S
Molecular Weight 232.298
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl phenyl sulfone

SMILES

O=S(=O)(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=FABCMLOTUSCWOR-UHFFFAOYSA-N
InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

HIDE SMILES / InChI

Molecular Formula C13H12O2S
Molecular Weight 232.298
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 Sat Dec 16 12:16:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:58 GMT 2023
Record UNII
33EH6K4PRB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl phenyl sulfone
Systematic Name English
((Phenylmethyl)sulfonyl)benzene
Systematic Name English
NSC-15407
Code English
Sulfone, benzyl phenyl
Systematic Name English
AI3-08944
Code English
Benzene, ((phenylmethyl)sulfonyl)-,
Systematic Name English
((Phenylmethyl)sulphonyl)benzene
Systematic Name English
Phenyl benzyl sulfone
Systematic Name English
Code System Code Type Description
CAS
3112-88-7
Created by admin on Sat Dec 16 12:16:58 GMT 2023 , Edited by admin on Sat Dec 16 12:16:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10185059
Created by admin on Sat Dec 16 12:16:58 GMT 2023 , Edited by admin on Sat Dec 16 12:16:58 GMT 2023
PRIMARY
PUBCHEM
76561
Created by admin on Sat Dec 16 12:16:58 GMT 2023 , Edited by admin on Sat Dec 16 12:16:58 GMT 2023
PRIMARY
NSC
15407
Created by admin on Sat Dec 16 12:16:58 GMT 2023 , Edited by admin on Sat Dec 16 12:16:58 GMT 2023
PRIMARY
FDA UNII
33EH6K4PRB
Created by admin on Sat Dec 16 12:16:58 GMT 2023 , Edited by admin on Sat Dec 16 12:16:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-477-3
Created by admin on Sat Dec 16 12:16:58 GMT 2023 , Edited by admin on Sat Dec 16 12:16:58 GMT 2023
PRIMARY