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Home > Quinoline > 930396-22-8
930396-22-8 | 5,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS No: 930396-22-8 Catalog No: AG019QBN MDL No:MFCD09702306
Product Description
Catalog Number:
AG019QBN
Chemical Name:
5,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
930396-22-8
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
MDL Number:
MFCD09702306
IUPAC Name:
5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C12H11N3S/c1-7-3-4-9-8(2)6-11-13-14-12(16)15(11)10(9)5-7/h3-6H,1-2H3,(H,14,16)
InChI Key:
HJSNTFUNFAINKQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)n1c(S)nnc1cc2C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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