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Home > Pyridines > 1105197-96-3
1105197-96-3 | 4-Isopropyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazine-7-thiol
CAS No: 1105197-96-3 Catalog No: AG01ARQ8 MDL No:MFCD11986586
Product Description
Catalog Number:
AG01ARQ8
Chemical Name:
4-Isopropyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazine-7-thiol
CAS Number:
1105197-96-3
Molecular Formula:
C14H14N4S
Molecular Weight:
270.3528
MDL Number:
MFCD11986586
IUPAC Name:
1-phenyl-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazine-7-thione
InChI:
InChI=1S/C14H14N4S/c1-9(2)12-11-8-15-18(10-6-4-3-5-7-10)13(11)14(19)17-16-12/h3-9H,1-2H3,(H,17,19)
InChI Key:
FIRPQRHUZVIMQZ-UHFFFAOYSA-N
SMILES:
CC(c1nnc(c2c1cnn2c1ccccc1)S)C
Properties
Complexity:
387
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:
2
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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