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206278-52-6 | 3-Buten-2-one, 4-phenyl-3-(phenylthio)-, (3Z)-
CAS No: 206278-52-6 Catalog No: AG002IED MDL No:
Product Description
Catalog Number:
AG002IED
Chemical Name:
3-Buten-2-one, 4-phenyl-3-(phenylthio)-, (3Z)-
CAS Number:
206278-52-6
Molecular Formula:
C16H14OS
Molecular Weight:
254.3468
IUPAC Name:
4-phenyl-3-phenylsulfanylbut-3-en-2-one
InChI:
InChI=1S/C16H14OS/c1-13(17)16(12-14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3
InChI Key:
JYHPSUADILZASS-UHFFFAOYSA-N
SMILES:
CC(=O)/C(=C/c1ccccc1)/Sc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.347g/mol
Monoisotopic Mass:
254.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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