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871110-28-0 | 1H-Pyrazole,4-ethyl-3-(methylthio)-1,5-diphenyl-
CAS No: 871110-28-0 Catalog No: AG004LBA MDL No:
Product Description
Catalog Number:
AG004LBA
Chemical Name:
1H-Pyrazole,4-ethyl-3-(methylthio)-1,5-diphenyl-
CAS Number:
871110-28-0
Molecular Formula:
C18H18N2S
Molecular Weight:
294.4139
IUPAC Name:
4-ethyl-3-methylsulfanyl-1,5-diphenylpyrazole
InChI:
InChI=1S/C18H18N2S/c1-3-16-17(14-10-6-4-7-11-14)20(19-18(16)21-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChI Key:
XRQXJTVBOCOZKE-UHFFFAOYSA-N
SMILES:
CCc1c(SC)nn(c1c1ccccc1)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.416g/mol
Monoisotopic Mass:
294.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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