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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7Cl3O2S2
Molecular Weight 305.629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-TRICHLOROMETHYL P-TOLUENETHIOSULFONATE

SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC(Cl)(Cl)Cl

InChI

InChIKey=PAXYSKBKXXIHCR-UHFFFAOYSA-N
InChI=1S/C8H7Cl3O2S2/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7Cl3O2S2
Molecular Weight 305.629
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 13:04:06 GMT 2023
Edited
by admin
on Sat Dec 16 13:04:06 GMT 2023
Record UNII
LKH445XJ8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-TRICHLOROMETHYL P-TOLUENETHIOSULFONATE
Systematic Name English
S-TRICHLOROMETHYL P-TOLUENETHIOSULPHONATE
Systematic Name English
P-TOLUENESULPHONIC ACID, THIO-, S-TRICHLOROMETHYL ESTER
Systematic Name English
NSC-85524
Code English
P-TOLUENESULFONIC ACID, THIO-, S-TRICHLOROMETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
LKH445XJ8N
Created by admin on Sat Dec 16 13:04:06 GMT 2023 , Edited by admin on Sat Dec 16 13:04:06 GMT 2023
PRIMARY
NSC
85524
Created by admin on Sat Dec 16 13:04:06 GMT 2023 , Edited by admin on Sat Dec 16 13:04:06 GMT 2023
PRIMARY
PUBCHEM
96676
Created by admin on Sat Dec 16 13:04:06 GMT 2023 , Edited by admin on Sat Dec 16 13:04:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID40156439
Created by admin on Sat Dec 16 13:04:06 GMT 2023 , Edited by admin on Sat Dec 16 13:04:06 GMT 2023
PRIMARY
CAS
13029-18-0
Created by admin on Sat Dec 16 13:04:06 GMT 2023 , Edited by admin on Sat Dec 16 13:04:06 GMT 2023
PRIMARY