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Home > Pyridines > 871110-02-0
871110-02-0 | Pyridine,3-[5-(methylthio)-1,4-diphenyl-1H-pyrazol-3-yl]-
CAS No: 871110-02-0 Catalog No: AG004TZH MDL No:
Product Description
Catalog Number:
AG004TZH
Chemical Name:
Pyridine,3-[5-(methylthio)-1,4-diphenyl-1H-pyrazol-3-yl]-
CAS Number:
871110-02-0
Molecular Formula:
C21H17N3S
Molecular Weight:
343.4448
IUPAC Name:
3-(5-methylsulfanyl-1,4-diphenylpyrazol-3-yl)pyridine
InChI:
InChI=1S/C21H17N3S/c1-25-21-19(16-9-4-2-5-10-16)20(17-11-8-14-22-15-17)23-24(21)18-12-6-3-7-13-18/h2-15H,1H3
InChI Key:
YAAVETJTIUTDFU-UHFFFAOYSA-N
SMILES:
CSc1n(nc(c1c1ccccc1)c1cccnc1)c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.448g/mol
Monoisotopic Mass:
343.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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