Home Sulfos P-Toluenesulfonic acid (s)-2-methylbutyl ester

P-Toluenesulfonic acid (s)-2-methylbutyl ester

CAS No.:
38261-81-3
Catalog Number:
AG003U0W
Molecular Formula:
C12H18O3S
Molecular Weight:
242.3345
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$124
- +
25g
95%
In Stock USA
United States
$372
- +
Product Description
Catalog Number:
AG003U0W
Chemical Name:
P-Toluenesulfonic acid (s)-2-methylbutyl ester
CAS Number:
38261-81-3
Molecular Formula:
C12H18O3S
Molecular Weight:
242.3345
MDL Number:
MFCD00013399
IUPAC Name:
[(2S)-2-methylbutyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H18O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChI Key:
HPEVJTNZYIMANV-JTQLQIEISA-N
SMILES:
CC[C@@H](COS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
242.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.333g/mol
Monoisotopic Mass:
242.098g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties