200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 144535-04-6
144535-04-6 | 4H-Thiopyran-4-one, 3-benzoyltetrahydro-
CAS No: 144535-04-6 Catalog No: AG001JQ6 MDL No:
Product Description
Catalog Number:
AG001JQ6
Chemical Name:
4H-Thiopyran-4-one, 3-benzoyltetrahydro-
CAS Number:
144535-04-6
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
3-benzoylthian-4-one
InChI:
InChI=1S/C12H12O2S/c13-11-6-7-15-8-10(11)12(14)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
YQKJUDVKHXEESN-UHFFFAOYSA-N
SMILES:
O=C(C1CSCCC1=O)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.