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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18O4S4
Molecular Weight 402.572
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLENE S,S'-4-TOLUENETHIOSULFONATE

SMILES

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

InChI

InChIKey=DUFUGAKEFZRFEQ-UHFFFAOYSA-N
InChI=1S/C16H18O4S4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H18O4S4
Molecular Weight 402.572
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 19:16:18 GMT 2025
Edited
by admin
on Tue Apr 01 19:16:18 GMT 2025
Record UNII
7P5LT3ZP9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TOLUENESULFONIC ACID, THIO-, S,S'-ETHYLENE ESTER
Preferred Name English
ETHYLENE S,S'-4-TOLUENETHIOSULFONATE
Systematic Name English
4-TOLUENESULPHONIC ACID, THIO-, S,S'-ETHYLENE ESTER
Systematic Name English
ETHYLENE S,S'-4-TOLUENETHIOSULPHONATE
Systematic Name English
P-TOLUENESULFONIC ACID, THIO-, S,S'-ETHYLENE ESTER
Systematic Name English
BENZENESULFONOTHIOIC ACID, 4-METHYL-, S1,S1'-1,2-ETHANEDIYL ESTER
Systematic Name English
BENZENESULPHONOTHIOIC ACID, 4-METHYL-, S1,S1'-1,2-ETHANEDIYL ESTER
Systematic Name English
P-TOLUENESULPHONIC ACID, THIO-, S,S'-ETHYLENE ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
75212
Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-752-5
Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025
PRIMARY
FDA UNII
7P5LT3ZP9F
Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID60176790
Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025
PRIMARY
CAS
2225-23-2
Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025
PRIMARY