[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane

C20H27PSSi — CID 46179845

IUPAC[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC/C(=C/CP(=S)(c1ccccc1)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C20H27PSSi/c1-18(17-23(2,3)4)15-16-21(22,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3/b18-15-
InChIKeyWTNPFJNNEWFRTH-SDXDJHTJSA-N
MW358.56 g/mol
LogP5.40
Rot. Bonds6

About [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane

[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 46179845) has the molecular formula C20H27PSSi and a molecular weight of 358.56 g/mol. Its IUPAC name is [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID46179845
Molecular FormulaC20H27PSSi
Molecular Weight358.56 g/mol
Exact Mass358.13
IUPAC Name[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC/C(=C/CP(=S)(c1ccccc1)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C20H27PSSi/c1-18(17-23(2,3)4)15-16-21(22,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3/b18-15-
InChIKeyWTNPFJNNEWFRTH-SDXDJHTJSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 101370952
2-diphenylphosphinothioylacetamide
CID 796912
chloromethyl-diphenyl-sulfanylidene-λ5-phosphane
CID 161049975
methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane
CID 101090572
(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
CID 14928752
diphenyl-sulfanylidene-[(Z)-2-trimethylsilylethenyl]-λ5-phosphane
CID 122379303
trimethyl-[(E)-2-phenyl-3-trimethylsilylprop-1-enyl]silane
CID 10015597
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
[(E)-5,5-bis(benzenesulfonyl)-2-methyl-8-phenyloct-2-en-7-ynyl]-trimethylsilane
CID 10929691
2,2-diphenylethyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10739652
tris(ethyl-phenyl-sulfanylidene-sulfido-λ5-phosphane);zirconium(3+)
CID 174385466
bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
CID 23415957

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 46179845) is [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane is C/C(=C/CP(=S)(c1ccccc1)c1ccccc1)C[Si](C)(C)C.
What is the InChIKey of [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is WTNPFJNNEWFRTH-SDXDJHTJSA-N. The full InChI is InChI=1S/C20H27PSSi/c1-18(17-23(2,3)4)15-16-21(22,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3/b18-15-.
What are the key properties of [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 358.56 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 46179845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).