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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2O3S
Molecular Weight 240.279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

SMILES

CC1=NN(CC1)C2=CC=C(C=C2)S(O)(=O)=O

InChI

InChIKey=OIIYGQQTABANCM-UHFFFAOYSA-N
InChI=1S/C10H12N2O3S/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)16(13,14)15/h2-5H,6-7H2,1H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C10H12N2O3S
Molecular Weight 240.279
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 17:03:45 GMT 2025
Edited
by admin
on Tue Apr 01 17:03:45 GMT 2025
Record UNII
N4HJD6ZT35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid
Systematic Name English
p-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid
Preferred Name English
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-1H-pyrazol-1-yl)-
Systematic Name English
p-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
287-614-4
Created by admin on Tue Apr 01 17:03:45 GMT 2025 , Edited by admin on Tue Apr 01 17:03:45 GMT 2025
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EPA CompTox
DTXSID80234745
Created by admin on Tue Apr 01 17:03:45 GMT 2025 , Edited by admin on Tue Apr 01 17:03:45 GMT 2025
PRIMARY
PUBCHEM
3020795
Created by admin on Tue Apr 01 17:03:45 GMT 2025 , Edited by admin on Tue Apr 01 17:03:45 GMT 2025
PRIMARY
FDA UNII
N4HJD6ZT35
Created by admin on Tue Apr 01 17:03:45 GMT 2025 , Edited by admin on Tue Apr 01 17:03:45 GMT 2025
PRIMARY
CAS
85554-81-0
Created by admin on Tue Apr 01 17:03:45 GMT 2025 , Edited by admin on Tue Apr 01 17:03:45 GMT 2025
PRIMARY