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1968-56-5 | 2-Quinolinecarbothioamide, N-2-pyridinyl-
CAS No: 1968-56-5 Catalog No: AG0073SM MDL No:
Product Description
Catalog Number:
AG0073SM
Chemical Name:
2-Quinolinecarbothioamide, N-2-pyridinyl-
CAS Number:
1968-56-5
Molecular Formula:
C15H11N3S
Molecular Weight:
265.3329
IUPAC Name:
N-pyridin-2-ylquinoline-2-carbothioamide
InChI:
InChI=1S/C15H11N3S/c19-15(18-14-7-3-4-10-16-14)13-9-8-11-5-1-2-6-12(11)17-13/h1-10H,(H,16,18,19)
InChI Key:
PPNJVMBOIQMXAY-UHFFFAOYSA-N
SMILES:
S=C(c1ccc2c(n1)cccc2)Nc1ccccn1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.334g/mol
Monoisotopic Mass:
265.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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