200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 115464-99-8
115464-99-8 | 4-Pentyn-1-one, 1-phenyl-2-(phenylthio)-
CAS No: 115464-99-8 Catalog No: AG000G14 MDL No:
Product Description
Catalog Number:
AG000G14
Chemical Name:
4-Pentyn-1-one, 1-phenyl-2-(phenylthio)-
CAS Number:
115464-99-8
Molecular Formula:
C17H14OS
Molecular Weight:
266.3575
IUPAC Name:
1-phenyl-2-phenylsulfanylpent-4-yn-1-one
InChI:
InChI=1S/C17H14OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h1,3-8,10-13,16H,9H2
InChI Key:
ZUJCAAAEGFKSOD-UHFFFAOYSA-N
SMILES:
C#CCC(C(=O)c1ccccc1)Sc1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.358g/mol
Monoisotopic Mass:
266.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.