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930396-20-6 | 7-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS No: 930396-20-6 Catalog No: AG019QBJ MDL No:MFCD09702305
Product Description
Catalog Number:
AG019QBJ
Chemical Name:
7-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
930396-20-6
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
MDL Number:
MFCD09702305
IUPAC Name:
7-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C12H11N3OS/c1-7-5-11-13-14-12(17)15(11)10-4-3-8(16-2)6-9(7)10/h3-6H,1-2H3,(H,14,17)
InChI Key:
DJYZDCQILMYJJT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)cc1n2c(S)nn1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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