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885459-97-2 | 5-[2-(4-methylphenyl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CAS No: 885459-97-2 Catalog No: AG019J1I MDL No:MFCD04608614
Product Description
Catalog Number:
AG019J1I
Chemical Name:
5-[2-(4-methylphenyl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CAS Number:
885459-97-2
Molecular Formula:
C18H13N3OS
Molecular Weight:
319.3803
MDL Number:
MFCD04608614
IUPAC Name:
5-[2-(4-methylphenyl)quinolin-4-yl]-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C18H13N3OS/c1-11-6-8-12(9-7-11)16-10-14(17-20-21-18(23)22-17)13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,21,23)
InChI Key:
MJDQTFCDEFHVMW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2ccccc2c(c1)c1nnc(o1)S
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.382g/mol
Monoisotopic Mass:
319.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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