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Home > Pyridines > 1105198-31-9
1105198-31-9 | 1-(3,4-DIMETHYLPHENYL)-4-METHYL-1H-PYRAZOLO[3,4-D]PYRIDAZINE-7-THIOL
CAS No: 1105198-31-9 Catalog No: AG01ARRQ MDL No:MFCD11986592
Product Description
Catalog Number:
AG01ARRQ
Chemical Name:
1-(3,4-DIMETHYLPHENYL)-4-METHYL-1H-PYRAZOLO[3,4-D]PYRIDAZINE-7-THIOL
CAS Number:
1105198-31-9
MDL Number:
MFCD11986592
IUPAC Name:
1-(3,4-dimethylphenyl)-4-methyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
InChI:
InChI=1S/C14H14N4S/c1-8-4-5-11(6-9(8)2)18-13-12(7-15-18)10(3)16-17-14(13)19/h4-7H,1-3H3,(H,17,19)
InChI Key:
PGBDPQSZTWCDRP-UHFFFAOYSA-N
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.354g/mol
Monoisotopic Mass:
270.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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