200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 886-42-0
886-42-0 | 15-Thiabicyclo[10.2.1]pentadeca-1(14),12-dien-2-one
CAS No: 886-42-0 Catalog No: AG00492A MDL No:
Product Description
Catalog Number:
AG00492A
Chemical Name:
15-Thiabicyclo[10.2.1]pentadeca-1(14),12-dien-2-one
CAS Number:
886-42-0
Molecular Formula:
C14H20OS
Molecular Weight:
236.3730
IUPAC Name:
15-thiabicyclo[10.2.1]pentadeca-1(14),12-dien-2-one
InChI:
InChI=1S/C14H20OS/c15-13-9-7-5-3-1-2-4-6-8-12-10-11-14(13)16-12/h10-11H,1-9H2
InChI Key:
PFDIJJRGCVEUHH-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCc2sc1cc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.373g/mol
Monoisotopic Mass:
236.123g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.