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Home > Quinoline > 917746-38-4
917746-38-4 | 5,8,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS No: 917746-38-4 Catalog No: AG019QBO MDL No:MFCD09702307
Product Description
Catalog Number:
AG019QBO
Chemical Name:
5,8,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
917746-38-4
Molecular Formula:
C13H13N3S
Molecular Weight:
243.3274
MDL Number:
MFCD09702307
IUPAC Name:
5,8,9-trimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C13H13N3S/c1-7-4-5-10-8(2)6-11-14-15-13(17)16(11)12(10)9(7)3/h4-6H,1-3H3,(H,15,17)
InChI Key:
WZILMNVYUVSMLX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C)n1c(S)nnc1cc2C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.328g/mol
Monoisotopic Mass:
243.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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