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871110-16-6 | 1H-Pyrazole,3-(methylthio)-1,4,5-triphenyl-
CAS No: 871110-16-6 Catalog No: AG004TZE MDL No:
Product Description
Catalog Number:
AG004TZE
Chemical Name:
1H-Pyrazole,3-(methylthio)-1,4,5-triphenyl-
CAS Number:
871110-16-6
Molecular Formula:
C22H18N2S
Molecular Weight:
342.4567
IUPAC Name:
3-methylsulfanyl-1,4,5-triphenylpyrazole
InChI:
InChI=1S/C22H18N2S/c1-25-22-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)24(23-22)19-15-9-4-10-16-19/h2-16H,1H3
InChI Key:
ONUQNWNEUXWCQG-UHFFFAOYSA-N
SMILES:
CSc1nn(c(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.46g/mol
Monoisotopic Mass:
342.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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