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Home > Pyridines > 338417-87-1
338417-87-1 | 3-[(4-methylphenyl)sulfanyl]-6-phenylpyridazine-4-carbonitrile
CAS No: 338417-87-1 Catalog No: AG00IPVW MDL No:MFCD00974784
Product Description
Catalog Number:
AG00IPVW
Chemical Name:
3-[(4-methylphenyl)sulfanyl]-6-phenylpyridazine-4-carbonitrile
CAS Number:
338417-87-1
Molecular Formula:
C18H13N3S
Molecular Weight:
303.3809
MDL Number:
MFCD00974784
IUPAC Name:
3-(4-methylphenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile
InChI:
InChI=1S/C18H13N3S/c1-13-7-9-16(10-8-13)22-18-15(12-19)11-17(20-21-18)14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
HWIMPZKNOVMXKS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(nnc1Sc1ccc(cc1)C)c1ccccc1
Properties
Complexity:
390
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.383g/mol
Monoisotopic Mass:
303.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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