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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3S
Molecular Weight 172.202
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLBENZENESULFONIC ACID

SMILES

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

InChI

InChIKey=LBLYYCQCTBFVLH-UHFFFAOYSA-N
InChI=1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI
Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Patents

Patents

JP2000072492A
2
JP2000086482A
2
JP2000154190A
2
JP2000319244A
2
JP2001081052A
2
JP2001502377A
2
JP2002511434A
2
JP2002518388A
3
JP2002540278A
2
JP2003277302A
3
JP2004315789A
3
JP2004518766A
7
JP2004534002A
17
JP2007517905A
2
JP2008024609A
2
JP2008088061A
2
JP2008511621A
8
JP2010086563A
2
JP2011147906A
2
JP2011512369A
8
JP2011524897A
9
JP2011525240A
9
JP2013203708A
2
JP4647187B2
5
JP4745978B2
2
JP4790178B2
7
JPH00841495A
2
JPH01110676A
2
JPH01261359A
5
JPH02120366A
2
JPH02162606A
2
JPH02227461A
2
JPH02256691A
2
JPH02279671A
2
JPH03118354A
2
JPH03123752A
2
JPH03137165A
2
JPH03197443A
2
JPH03291267A
3
JPH0372494A
2
JPH04150976A
2
JPH04234866A
2
JPH05132402A
3
JPH06107979A
2
JPH06172178A
2
JPH06172648A
2
JPH06206919A
2
JPH07233160A
2
JPH07253430A
2
JPH08104667A
2
JPH08188586A
2
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:31:08 GMT 2025
Edited
by admin
on Mon Mar 31 22:31:08 GMT 2025
Record UNII
4ZHF5BMF7N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLBENZENESULFONIC ACID
Systematic Name English
NSC-87381
Preferred Name English
BENZENESULFONIC ACID, 2-METHYL-
Common Name English
O-TOLUENESULFONIC ACID
Common Name English
O-METHYLBENZENESULFONIC ACID
Systematic Name English
TOLUENE-2-SULFONIC ACID
Systematic Name English
Code System Code Type Description
CAS
88-20-0
Created by admin on Mon Mar 31 22:31:08 GMT 2025 , Edited by admin on Mon Mar 31 22:31:08 GMT 2025
PRIMARY
NSC
87381
Created by admin on Mon Mar 31 22:31:08 GMT 2025 , Edited by admin on Mon Mar 31 22:31:08 GMT 2025
PRIMARY
FDA UNII
4ZHF5BMF7N
Created by admin on Mon Mar 31 22:31:08 GMT 2025 , Edited by admin on Mon Mar 31 22:31:08 GMT 2025
PRIMARY
PUBCHEM
6925
Created by admin on Mon Mar 31 22:31:08 GMT 2025 , Edited by admin on Mon Mar 31 22:31:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID1045035
Created by admin on Mon Mar 31 22:31:08 GMT 2025 , Edited by admin on Mon Mar 31 22:31:08 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-809-3
Created by admin on Mon Mar 31 22:31:08 GMT 2025 , Edited by admin on Mon Mar 31 22:31:08 GMT 2025
PRIMARY
Related Record Type Details
Structure of SODIUM 2-METHYLBENZENESULFONATE
SALT/SOLVATE -> PARENT
NIH
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