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Home > Pyridines > 478029-29-7
478029-29-7 | 6-phenyl-5-(piperidin-1-yl)pyridazine-3-thiol
CAS No: 478029-29-7 Catalog No: AG00ISBV MDL No:MFCD02102620
Product Description
Catalog Number:
AG00ISBV
Chemical Name:
6-phenyl-5-(piperidin-1-yl)pyridazine-3-thiol
CAS Number:
478029-29-7
Molecular Formula:
C15H17N3S
Molecular Weight:
271.3806
MDL Number:
MFCD02102620
IUPAC Name:
3-phenyl-4-piperidin-1-yl-1H-pyridazine-6-thione
InChI:
InChI=1S/C15H17N3S/c19-14-11-13(18-9-5-2-6-10-18)15(17-16-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,19)
InChI Key:
IARYYXHIESMNAG-UHFFFAOYSA-N
SMILES:
Sc1nnc(c(c1)N1CCCCC1)c1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.382g/mol
Monoisotopic Mass:
271.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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