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Home Sulfos Benzenesulfonic acid, 2,5-dimethyl-

Benzenesulfonic acid, 2,5-dimethyl-

CAS No.:
609-54-1
Catalog Number:
AG00IARQ
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(T)(HPLC)
1 week
United States
$87
- +
100g
>98.0%(T)(HPLC)
1 week
United States
$205
- +
Product Description
Catalog Number:
AG00IARQ
Chemical Name:
Benzenesulfonic acid, 2,5-dimethyl-
CAS Number:
609-54-1
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD00064858
IUPAC Name:
2,5-dimethylbenzenesulfonic acid
InChI:
InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChI Key:
IRLYGRLEBKCYPY-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)O)C
EC Number:
210-193-5
UNII:
L1SEA5QNP9
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Arylsulfonates as sole source of sulfur for Clostridium pasteurianum DSM 12136. Journal of basic microbiology 20050101
Properties