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Home > Quinoline > 1164476-25-8
1164476-25-8 | (2Z)-3-[2-(methylsulfanyl)quinolin-3-yl]-2-phenylprop-2-enenitrile
CAS No: 1164476-25-8 Catalog No: AG00IUYG MDL No:MFCD02571154
Product Description
Catalog Number:
AG00IUYG
Chemical Name:
(2Z)-3-[2-(methylsulfanyl)quinolin-3-yl]-2-phenylprop-2-enenitrile
CAS Number:
1164476-25-8
Molecular Formula:
C19H14N2S
Molecular Weight:
302.3929
MDL Number:
MFCD02571154
IUPAC Name:
(Z)-3-(2-methylsulfanylquinolin-3-yl)-2-phenylprop-2-enenitrile
InChI:
InChI=1S/C19H14N2S/c1-22-19-16(11-15-9-5-6-10-18(15)21-19)12-17(13-20)14-7-3-2-4-8-14/h2-12H,1H3/b17-12+
InChI Key:
MMPOGQAJSXLRNV-SFQUDFHCSA-N
SMILES:
CSc1nc2ccccc2cc1/C=C(/c1ccccc1)\C#N
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
302.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.395g/mol
Monoisotopic Mass:
302.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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