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30536-30-2 | 2-Quinolinecarbothioamide, N-phenyl-
CAS No: 30536-30-2 Catalog No: AG0030HA MDL No:
Product Description
Catalog Number:
AG0030HA
Chemical Name:
2-Quinolinecarbothioamide, N-phenyl-
CAS Number:
30536-30-2
Molecular Formula:
C16H12N2S
Molecular Weight:
264.3449
IUPAC Name:
N-phenylquinoline-2-carbothioamide
InChI:
InChI=1S/C16H12N2S/c19-16(17-13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)18-15/h1-11H,(H,17,19)
InChI Key:
IFDYWICJTPEGPY-UHFFFAOYSA-N
SMILES:
S=C(c1ccc2c(n1)cccc2)Nc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.346g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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