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3770-46-5 | 5-(4-Quinolyl)-1H-1,2,4-triazole-3-thiol
CAS No: 3770-46-5 Catalog No: AG00D00Z MDL No:
Product Description
Catalog Number:
AG00D00Z
Chemical Name:
5-(4-Quinolyl)-1H-1,2,4-triazole-3-thiol
CAS Number:
3770-46-5
IUPAC Name:
5-quinolin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C11H8N4S/c16-11-13-10(14-15-11)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,13,14,15,16)
InChI Key:
OXHJNEQUQRCQLW-UHFFFAOYSA-N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.273g/mol
Monoisotopic Mass:
228.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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