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Home Sulfos (Methanesulfonylmethyl)benzene

(Methanesulfonylmethyl)benzene

CAS No.:
3112-90-1
Catalog Number:
AG00325Z
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$15
- +
25g
97%
In Stock USA
United States
$44
- +
100g
97%
In Stock USA
United States
$138
- +
Product Description
Catalog Number:
AG00325Z
Chemical Name:
(Methanesulfonylmethyl)benzene
CAS Number:
3112-90-1
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00025074
IUPAC Name:
methylsulfonylmethylbenzene
InChI:
InChI=1S/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
BEARMXYKACECDH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Cc1ccccc1
EC Number:
221-478-9
NSC Number:
409406
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
4-Amino derivatives of the Hsp90 inhibitor CCT018159. Bioorganic & medicinal chemistry letters 20060501
Properties