200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 159280-42-9
159280-42-9 | Benzene, [[(S)-hexylsulfinyl]methyl]-
CAS No: 159280-42-9 Catalog No: AG001QL6 MDL No:
Product Description
Catalog Number:
AG001QL6
Chemical Name:
Benzene, [[(S)-hexylsulfinyl]methyl]-
CAS Number:
159280-42-9
Molecular Formula:
C13H20OS
Molecular Weight:
224.3623
IUPAC Name:
[(S)-hexylsulfinyl]methylbenzene
InChI:
InChI=1S/C13H20OS/c1-2-3-4-8-11-15(14)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3/t15-/m0/s1
InChI Key:
PHCIFWWBMFKHLL-HNNXBMFYSA-N
SMILES:
CCCCCC[S@](=O)Cc1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.362g/mol
Monoisotopic Mass:
224.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.