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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13ClN2O2S
Molecular Weight 320.794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfinic acid

SMILES

OS(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(Cl)C=C3

InChI

InChIKey=FTICQHWSXCHDOQ-UHFFFAOYSA-N
InChI=1S/C15H13ClN2O2S/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(8-6-13)21(19)20/h1-8H,9-10H2,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H13ClN2O2S
Molecular Weight 320.794
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 Wed Apr 02 17:10:01 GMT 2025
Edited
by admin
on Wed Apr 02 17:10:01 GMT 2025
Record UNII
HU42Y38MYA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfinic acid, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-
Preferred Name English
4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfinic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60195648
Created by admin on Wed Apr 02 17:10:01 GMT 2025 , Edited by admin on Wed Apr 02 17:10:01 GMT 2025
PRIMARY
CAS
43037-46-3
Created by admin on Wed Apr 02 17:10:01 GMT 2025 , Edited by admin on Wed Apr 02 17:10:01 GMT 2025
PRIMARY
FDA UNII
HU42Y38MYA
Created by admin on Wed Apr 02 17:10:01 GMT 2025 , Edited by admin on Wed Apr 02 17:10:01 GMT 2025
PRIMARY
PUBCHEM
3016404
Created by admin on Wed Apr 02 17:10:01 GMT 2025 , Edited by admin on Wed Apr 02 17:10:01 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT