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325738-86-1 | 8-methoxy-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS No: 325738-86-1 Catalog No: AG019QBV MDL No:MFCD09702312
Product Description
Catalog Number:
AG019QBV
Chemical Name:
8-methoxy-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
325738-86-1
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
MDL Number:
MFCD09702312
IUPAC Name:
8-methoxy-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C17H13N3OS/c1-21-12-7-8-13-14(11-5-3-2-4-6-11)10-16-18-19-17(22)20(16)15(13)9-12/h2-10H,1H3,(H,19,22)
InChI Key:
VXUXCFHIUTZZFI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n1c(S)nnc1cc2c1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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