200,000+ products from a single source!
sales@angenechem.com
88350-87-2 | 3-Quinolinecarboxylic acid, 4-(phenylthio)-, ethyl ester
CAS No: 88350-87-2 Catalog No: AG0045E0 MDL No:
Product Description
Catalog Number:
AG0045E0
Chemical Name:
3-Quinolinecarboxylic acid, 4-(phenylthio)-, ethyl ester
CAS Number:
88350-87-2
Molecular Formula:
C18H15NO2S
Molecular Weight:
309.3822
IUPAC Name:
ethyl 4-phenylsulfanylquinoline-3-carboxylate
InChI:
InChI=1S/C18H15NO2S/c1-2-21-18(20)15-12-19-16-11-7-6-10-14(16)17(15)22-13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChI Key:
VKQRCCMXTLGXJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Sc1ccccc1)cccc2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.383g/mol
Monoisotopic Mass:
309.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.