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176094-83-0 | 1,3-Butanedione, 2-[bis(ethylthio)methylene]-1-phenyl-
CAS No: 176094-83-0 Catalog No: AG0021FC MDL No:
Product Description
Catalog Number:
AG0021FC
Chemical Name:
1,3-Butanedione, 2-[bis(ethylthio)methylene]-1-phenyl-
CAS Number:
176094-83-0
Molecular Formula:
C15H18O2S2
Molecular Weight:
294.4322
IUPAC Name:
2-[bis(ethylsulfanyl)methylidene]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C15H18O2S2/c1-4-18-15(19-5-2)13(11(3)16)14(17)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChI Key:
LLWJREJDXLJFRB-UHFFFAOYSA-N
SMILES:
CCSC(=C(C(=O)c1ccccc1)C(=O)C)SCC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.427g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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