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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H12S
Molecular Weight 200.299
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL PHENYL SULFIDE

SMILES

C(SC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=LKMCJXXOBRCATQ-UHFFFAOYSA-N
InChI=1S/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2

HIDE SMILES / InChI

Molecular Formula C13H12S
Molecular Weight 200.299
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 19:30:23 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:23 GMT 2025
Record UNII
JJY63Q9D8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL PHENYL SULFIDE
Systematic Name English
NSC-56472
Preferred Name English
BENZYL PHENYL SULPHIDE
Systematic Name English
SULPHIDE, BENZYL PHENYL
Systematic Name English
BENZENE, ((PHENYLMETHYL)THIO)-
Systematic Name English
((PHENYLMETHYL)THIO)BENZENE
Systematic Name English
SULFIDE, BENZYL PHENYL
Systematic Name English
((PHENYLTHIO)METHYL)BENZENE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
212-612-7
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
PUBCHEM
13255
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID50232172
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
NSC
56472
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
CAS
831-91-4
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
FDA UNII
JJY63Q9D8T
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY