200,000+ products from a single source!
sales@angenechem.com
113858-92-7 | 3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-phenyl-6-thioxo-, ethyl ester
CAS No: 113858-92-7 Catalog No: AG0009YH MDL No:
Product Description
Catalog Number:
AG0009YH
Chemical Name:
3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-phenyl-6-thioxo-, ethyl ester
CAS Number:
113858-92-7
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
IUPAC Name:
ethyl 5-cyano-2-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C15H12N2O2S/c1-2-19-15(18)12-8-11(9-16)14(20)17-13(12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,17,20)
InChI Key:
QOLNBYNAHJUQKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C#N)c(=S)[nH]c1c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.