200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 81842-26-4
81842-26-4 | 2-Cyclohexen-1-one, 4-[3-(phenylthio)propyl]-
CAS No: 81842-26-4 Catalog No: AG005HTQ MDL No:
Product Description
Catalog Number:
AG005HTQ
Chemical Name:
2-Cyclohexen-1-one, 4-[3-(phenylthio)propyl]-
CAS Number:
81842-26-4
Molecular Formula:
C15H18OS
Molecular Weight:
246.3678
IUPAC Name:
4-(3-phenylsulfanylpropyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C15H18OS/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-3,6-8,10,13H,4-5,9,11-12H2
InChI Key:
JJRGFYGTGJVTPG-UHFFFAOYSA-N
SMILES:
O=C1CCC(C=C1)CCCSc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.368g/mol
Monoisotopic Mass:
246.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.