Home Sulfos Benzene, 1,3-dimethyl-2-(methylsulfonyl)-

Benzene, 1,3-dimethyl-2-(methylsulfonyl)-

CAS No.:
97416-12-1
Catalog Number:
AG006CF8
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$312
- +
5g
98%
1 week
United States
$859
- +
Product Description
Catalog Number:
AG006CF8
Chemical Name:
Benzene, 1,3-dimethyl-2-(methylsulfonyl)-
CAS Number:
97416-12-1
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD03789177
IUPAC Name:
1,3-dimethyl-2-methylsulfonylbenzene
InChI:
InChI=1S/C9H12O2S/c1-7-5-4-6-8(2)9(7)12(3,10)11/h4-6H,1-3H3
InChI Key:
ZQAWWGSVAZSHBB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1S(=O)(=O)C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties