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7190-83-2 | 3-phenyl[1,2,4]triazolo[4,3-b]pyridazine-6-thiol
CAS No: 7190-83-2 Catalog No: AG00J8JN MDL No:MFCD01219663
Product Description
Catalog Number:
AG00J8JN
Chemical Name:
3-phenyl[1,2,4]triazolo[4,3-b]pyridazine-6-thiol
CAS Number:
7190-83-2
Molecular Formula:
C11H8N4S
Molecular Weight:
228.2730
MDL Number:
MFCD01219663
IUPAC Name:
3-phenyl-5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione
InChI:
InChI=1S/C11H8N4S/c16-10-7-6-9-12-13-11(15(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,14,16)
InChI Key:
ZFSRIRQNMXGKGG-UHFFFAOYSA-N
SMILES:
Sc1ccc2n(n1)c(nn2)c1ccccc1
Properties
Complexity:
311
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.273g/mol
Monoisotopic Mass:
228.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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