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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O2S2
Molecular Weight 250.337
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-PHENYL THIOBENZENESULFONATE

SMILES

O=S(=O)(SC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=ATKJLMWDXASAJA-UHFFFAOYSA-N
InChI=1S/C12H10O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H

HIDE SMILES / InChI

Molecular Formula C12H10O2S2
Molecular Weight 250.337
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 Mon Mar 31 19:55:47 GMT 2025
Edited
by admin
on Mon Mar 31 19:55:47 GMT 2025
Record UNII
NM70520Z5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-PHENYL THIOBENZENESULFONATE
Systematic Name English
PHENYL BENZENETHIOSULFONATE
MI  
Preferred Name English
BENZENESULFONOTHIOIC ACID, S-PHENYL ESTER
Systematic Name English
PHENYL PHENYLTHIO SULFONE
Systematic Name English
NSC-74657
Code English
PHENYL BENZENETHIOSULFONATE [MI]
Common Name English
S-PHENYL BENZENEMONOTHIOSULFONATE
Systematic Name English
BENZENESULFONIC ACID, THIO-, S-PHENYL ESTER
Systematic Name English
S-PHENYL BENZENETHIOSULFONATE
Systematic Name English
BENZENETHIOL, BENZENESULFONATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9074480
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY
FDA UNII
NM70520Z5R
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY
NSC
74657
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY
MERCK INDEX
m8656
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY Merck Index
CAS
1212-08-4
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-919-1
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY
PUBCHEM
71031
Created by admin on Mon Mar 31 19:55:47 GMT 2025 , Edited by admin on Mon Mar 31 19:55:47 GMT 2025
PRIMARY