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Home > Quinoline > 392237-33-1
392237-33-1 | 5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS No: 392237-33-1 Catalog No: AG019QBQ MDL No:MFCD09702309
Product Description
Catalog Number:
AG019QBQ
Chemical Name:
5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
392237-33-1
Molecular Formula:
C16H11N3S
Molecular Weight:
277.3436
MDL Number:
MFCD09702309
IUPAC Name:
5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C16H11N3S/c20-16-18-17-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19(15)16/h1-10H,(H,18,20)
InChI Key:
PRBBCWVYYQKLHU-UHFFFAOYSA-N
SMILES:
Sc1nnc2n1c1ccccc1c(c2)c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.345g/mol
Monoisotopic Mass:
277.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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