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1164526-10-6 | (2Z)-2-(3-methylphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile
CAS No: 1164526-10-6 Catalog No: AG00IUYF MDL No:MFCD02571153
Product Description
Catalog Number:
AG00IUYF
Chemical Name:
(2Z)-2-(3-methylphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile
CAS Number:
1164526-10-6
Molecular Formula:
C20H16N2S
Molecular Weight:
316.4194
MDL Number:
MFCD02571153
IUPAC Name:
(Z)-2-(3-methylphenyl)-3-(2-methylsulfanylquinolin-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C20H16N2S/c1-14-6-5-8-15(10-14)18(13-21)12-17-11-16-7-3-4-9-19(16)22-20(17)23-2/h3-12H,1-2H3/b18-12+
InChI Key:
NVXIBTGVCYADNS-LDADJPATSA-N
SMILES:
CSc1nc2ccccc2cc1/C=C(/c1cccc(c1)C)\C#N
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
316.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.422g/mol
Monoisotopic Mass:
316.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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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