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315677-92-0 | 5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS No: 315677-92-0 Catalog No: AG019IHR MDL No:MFCD04614704
Product Description
Catalog Number:
AG019IHR
Chemical Name:
5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
315677-92-0
Molecular Formula:
C13H13N3S
Molecular Weight:
243.3274
MDL Number:
MFCD04614704
IUPAC Name:
5,7,9-trimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C13H13N3S/c1-7-4-9(3)12-10(5-7)8(2)6-11-14-15-13(17)16(11)12/h4-6H,1-3H3,(H,15,17)
InChI Key:
ICVNTNDWRJGXMB-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(C)cc1n2c(S)nn1
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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