Home Sulfos 2-Cyano-2-methylpropyl 4-methylbenzenesulfonate

2-Cyano-2-methylpropyl 4-methylbenzenesulfonate

CAS No.:
157736-55-5
Catalog Number:
AG00AMQL
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$211
- +
500mg
95%
In Stock USA
United States
$322
- +
Product Description
Catalog Number:
AG00AMQL
Chemical Name:
2-Cyano-2-methylpropyl 4-methylbenzenesulfonate
CAS Number:
157736-55-5
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
MDL Number:
MFCD12027059
IUPAC Name:
(2-cyano-2-methylpropyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H15NO3S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7H,9H2,1-3H3
InChI Key:
IBJJIYVWUTVKGM-UHFFFAOYSA-N
SMILES:
N#CC(COS(=O)(=O)c1ccc(cc1)C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties