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306935-38-6 | 4-METHYL-5-QUINOLIN-6-YL-4H-1,2,4-TRIAZOLE-3-THIOL
CAS No: 306935-38-6 Catalog No: AG00BX23 MDL No:
Product Description
Catalog Number:
AG00BX23
Chemical Name:
4-METHYL-5-QUINOLIN-6-YL-4H-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
306935-38-6
IUPAC Name:
4-methyl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H10N4S/c1-16-11(14-15-12(16)17)9-4-5-10-8(7-9)3-2-6-13-10/h2-7H,1H3,(H,15,17)
InChI Key:
IFCXDXLPFAHKJP-UHFFFAOYSA-N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.3g/mol
Monoisotopic Mass:
242.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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