200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100256-29-9
100256-29-9 | Ethanone, 1-[4-(butylthio)phenyl]-
CAS No: 100256-29-9 Catalog No: AG0001E4 MDL No:
Product Description
Catalog Number:
AG0001E4
Chemical Name:
Ethanone, 1-[4-(butylthio)phenyl]-
CAS Number:
100256-29-9
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
1-(4-butylsulfanylphenyl)ethanone
InChI:
InChI=1S/C12H16OS/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
InChI Key:
CUWQCLZLLYHJEA-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cc1)C(=O)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.