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189118-89-6 | Quinoline, 2-(2(3H)-benzothiazolylidenemethyl)-
CAS No: 189118-89-6 Catalog No: AG002HWV MDL No:
Product Description
Catalog Number:
AG002HWV
Chemical Name:
Quinoline, 2-(2(3H)-benzothiazolylidenemethyl)-
CAS Number:
189118-89-6
Molecular Formula:
C17H12N2S
Molecular Weight:
276.3556
IUPAC Name:
2-(quinolin-2-ylmethylidene)-3H-1,3-benzothiazole
InChI:
InChI=1S/C17H12N2S/c1-2-6-14-12(5-1)9-10-13(18-14)11-17-19-15-7-3-4-8-16(15)20-17/h1-11,19H
InChI Key:
VPVJWHXLAMGVPN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)C=c1sc2c([nH]1)cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.357g/mol
Monoisotopic Mass:
276.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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