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[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylide

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摘 要: [[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene],cyanamide,Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C=CSC(=NC#N)SC,InChI: InChI=1/C14H14N2OS2/c1-3-11-4-6-12(7-5-11)13(17)8-9-19-14(18-2)16-10-15/,h4-9H,3H2,1-2H3/b9-8u,16-14+,Mole
[Synonyms]

[Structure]
 [[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylide

[ Properties Computed from Structure]
Molecular Weight290.40376 [g/mol]
Molecular FormulaC14H14N2OS2
XLogP3.7
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count6
Exact Mass290.054754
MonoIsotopic Mass290.054754
Topological Polar Surface Area53.2
Heavy Atom Count19
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]
cyanamide
Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C=CSC(=NC#N)SC
InChI: InChI=1/C14H14N2OS2/c1-3-11-4-6-12(7-5-11)13(17)8-9-19-14(18-2)16-10-15/
h4-9H,3H2,1-2H3/b9-8u,16-14+

 
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