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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5Cl3O2S
Molecular Weight 259.537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2,4,5-TRICHLOROPHENYL SULFONE

SMILES

CS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Cl

InChI

InChIKey=BLRLBBXZXPUHIH-UHFFFAOYSA-N
InChI=1S/C7H5Cl3O2S/c1-13(11,12)7-3-5(9)4(8)2-6(7)10/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C7H5Cl3O2S
Molecular Weight 259.537
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 18:54:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:54:25 GMT 2025
Record UNII
ARV6UUL1CO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2,4,5-TRICHLOROPHENYL SULFONE
Systematic Name English
BENZENE, 1,2,4-TRICHLORO-5-(METHYLSULFONYL)-
Preferred Name English
SULFONE, METHYL 2,4,5-TRICHLOROPHENYL
Systematic Name English
Code System Code Type Description
FDA UNII
ARV6UUL1CO
Created by admin on Mon Mar 31 18:54:25 GMT 2025 , Edited by admin on Mon Mar 31 18:54:25 GMT 2025
PRIMARY
PUBCHEM
20115
Created by admin on Mon Mar 31 18:54:25 GMT 2025 , Edited by admin on Mon Mar 31 18:54:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID10194444
Created by admin on Mon Mar 31 18:54:25 GMT 2025 , Edited by admin on Mon Mar 31 18:54:25 GMT 2025
PRIMARY
CAS
4163-80-8
Created by admin on Mon Mar 31 18:54:25 GMT 2025 , Edited by admin on Mon Mar 31 18:54:25 GMT 2025
PRIMARY