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Home > Imidazoles > 54221-54-4
54221-54-4 | 2,4-DIMETHYL-5-PHENYLIMIDAZO[1,5-B]PYRIDAZINE-7-THIOL
CAS No: 54221-54-4 Catalog No: AG00DVD9 MDL No:MFCD00704997
Product Description
Catalog Number:
AG00DVD9
Chemical Name:
2,4-DIMETHYL-5-PHENYLIMIDAZO[1,5-B]PYRIDAZINE-7-THIOL
CAS Number:
54221-54-4
Molecular Formula:
C14H13N3S
Molecular Weight:
255.3381
MDL Number:
MFCD00704997
IUPAC Name:
2,4-dimethyl-5-phenyl-6H-imidazo[1,5-b]pyridazine-7-thione
InChI:
InChI=1S/C14H13N3S/c1-9-8-10(2)16-17-13(9)12(15-14(17)18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,18)
InChI Key:
XCNWZKIENFVVGY-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2n(n1)c(S)nc2c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.339g/mol
Monoisotopic Mass:
255.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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