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88319-95-3 | Furan, 2-methyl-3-(methylthio)-4,5-diphenyl-
CAS No: 88319-95-3 Catalog No: AG0047MD MDL No:
Product Description
Catalog Number:
AG0047MD
Chemical Name:
Furan, 2-methyl-3-(methylthio)-4,5-diphenyl-
CAS Number:
88319-95-3
Molecular Formula:
C18H16OS
Molecular Weight:
280.3840
IUPAC Name:
2-methyl-3-methylsulfanyl-4,5-diphenylfuran
InChI:
InChI=1S/C18H16OS/c1-13-18(20-2)16(14-9-5-3-6-10-14)17(19-13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChI Key:
DPUZLTIVQVAJJN-UHFFFAOYSA-N
SMILES:
CSc1c(C)oc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.385g/mol
Monoisotopic Mass:
280.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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