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1105198-16-0 | 4-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazine-7-thiol
CAS No: 1105198-16-0 Catalog No: AG01ARR1 MDL No:MFCD11986589
Product Description
Catalog Number:
AG01ARR1
Chemical Name:
4-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazine-7-thiol
CAS Number:
1105198-16-0
Molecular Formula:
C12H10N4S
Molecular Weight:
242.2996
MDL Number:
MFCD11986589
IUPAC Name:
4-methyl-1-phenyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
InChI:
InChI=1S/C12H10N4S/c1-8-10-7-13-16(9-5-3-2-4-6-9)11(10)12(17)15-14-8/h2-7H,1H3,(H,15,17)
InChI Key:
PVWLQHDYHGBMFL-UHFFFAOYSA-N
SMILES:
Sc1nnc(c2c1n(nc2)c1ccccc1)C
Properties
Complexity:
348
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:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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