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64215-65-2 | 2(1H)-Quinolinethione, 7-methoxy-4-phenyl-
CAS No: 64215-65-2 Catalog No: AG00IBC4 MDL No:MFCD04606937
Product Description
Catalog Number:
AG00IBC4
Chemical Name:
2(1H)-Quinolinethione, 7-methoxy-4-phenyl-
CAS Number:
64215-65-2
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
MDL Number:
MFCD04606937
IUPAC Name:
7-methoxy-4-phenyl-1H-quinoline-2-thione
InChI:
InChI=1S/C16H13NOS/c1-18-12-7-8-13-14(11-5-3-2-4-6-11)10-16(19)17-15(13)9-12/h2-10H,1H3,(H,17,19)
InChI Key:
DXKWNVKAOKZLGP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(cc2c1ccccc1)S
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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