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Home > Pyridines > 875783-70-3
875783-70-3 | 4-Pyridazinecarbonitrile, 2,3-dihydro-2-methyl-5,6-diphenyl-3-thioxo-
CAS No: 875783-70-3 Catalog No: AG004IYP MDL No:
Product Description
Catalog Number:
AG004IYP
Chemical Name:
4-Pyridazinecarbonitrile, 2,3-dihydro-2-methyl-5,6-diphenyl-3-thioxo-
CAS Number:
875783-70-3
Molecular Formula:
C18H13N3S
Molecular Weight:
303.3809
IUPAC Name:
2-methyl-5,6-diphenyl-3-sulfanylidenepyridazine-4-carbonitrile
InChI:
InChI=1S/C18H13N3S/c1-21-18(22)15(12-19)16(13-8-4-2-5-9-13)17(20-21)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
PWUZPADPVQXCIA-UHFFFAOYSA-N
SMILES:
N#Cc1c(c2ccccc2)c(nn(c1=S)C)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.383g/mol
Monoisotopic Mass:
303.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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