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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9O3S.H4N
Molecular Weight 203.259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM 2,5-DIMETHYLBENZENESULFONATE

SMILES

[NH4+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O

InChI

InChIKey=UXKXKFCNSBEHCR-UHFFFAOYSA-N
InChI=1S/C8H10O3S.H3N/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3

HIDE SMILES / InChI

Molecular Formula C8H10O3S
Molecular Weight 186.228
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Arylsulfonates as sole source of sulfur for Clostridium pasteurianum DSM 12136.
2005
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:40:33 GMT 2025
Edited
by admin
on Mon Mar 31 19:40:33 GMT 2025
Record UNII
B8CYS38264
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM 2,5-DIMETHYLBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2,5-DIMETHYL-, AMMONIUM SALT (1:1)
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
280-566-5
Created by admin on Mon Mar 31 19:40:33 GMT 2025 , Edited by admin on Mon Mar 31 19:40:33 GMT 2025
PRIMARY
CAS
83721-36-2
Created by admin on Mon Mar 31 19:40:33 GMT 2025 , Edited by admin on Mon Mar 31 19:40:33 GMT 2025
PRIMARY
PUBCHEM
13685726
Created by admin on Mon Mar 31 19:40:33 GMT 2025 , Edited by admin on Mon Mar 31 19:40:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID601003728
Created by admin on Mon Mar 31 19:40:33 GMT 2025 , Edited by admin on Mon Mar 31 19:40:33 GMT 2025
PRIMARY
FDA UNII
B8CYS38264
Created by admin on Mon Mar 31 19:40:33 GMT 2025 , Edited by admin on Mon Mar 31 19:40:33 GMT 2025
PRIMARY