200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1105198-01-3
1105198-01-3 | 1-(3,4-DIMETHYLPHENYL)-4-ISOPROPYL-1H-PYRAZOLO[3,4-D]PYRIDAZINE-7-THIOL
CAS No: 1105198-01-3 Catalog No: AG01AQI1 MDL No:MFCD16652898
Product Description
Catalog Number:
AG01AQI1
Chemical Name:
1-(3,4-DIMETHYLPHENYL)-4-ISOPROPYL-1H-PYRAZOLO[3,4-D]PYRIDAZINE-7-THIOL
CAS Number:
1105198-01-3
Molecular Formula:
C16H18N4S
Molecular Weight:
298.4059
MDL Number:
MFCD16652898
IUPAC Name:
1-(3,4-dimethylphenyl)-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazine-7-thione
InChI:
InChI=1S/C16H18N4S/c1-9(2)14-13-8-17-20(15(13)16(21)19-18-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H,19,21)
InChI Key:
OQQVCBBDMDGQDA-UHFFFAOYSA-N
SMILES:
CC(c1nnc(c2c1cnn2c1ccc(c(c1)C)C)S)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.408g/mol
Monoisotopic Mass:
298.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.