200,000+ products from a single source!
sales@angenechem.com
88350-88-3 | 3-Quinolinecarboxylic acid, 4-(phenylthio)-
CAS No: 88350-88-3 Catalog No: AG0045DZ MDL No:
Product Description
Catalog Number:
AG0045DZ
Chemical Name:
3-Quinolinecarboxylic acid, 4-(phenylthio)-
CAS Number:
88350-88-3
Molecular Formula:
C16H11NO2S
Molecular Weight:
281.3290
IUPAC Name:
4-phenylsulfanylquinoline-3-carboxylic acid
InChI:
InChI=1S/C16H11NO2S/c18-16(19)13-10-17-14-9-5-4-8-12(14)15(13)20-11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChI Key:
KQTVYLFWVINJPD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1Sc1ccccc1)cccc2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.329g/mol
Monoisotopic Mass:
281.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.