dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane

C20H31PS2Se — CID 132561954

IUPACdicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane
SMILESCC(Sc1ccccc1)[Se]P(=S)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H31PS2Se/c1-17(23-20-15-9-4-10-16-20)24-21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h4,9-10,15-19H,2-3,5-8,11-14H2,1H3
InChIKeyVOQDTZIFOKDINE-UHFFFAOYSA-N
MW445.54 g/mol
LogP6.89
Rot. Bonds6

About dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane

dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane (PubChem CID 132561954) has the molecular formula C20H31PS2Se and a molecular weight of 445.54 g/mol. Its IUPAC name is dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane
PubChem CID132561954
Molecular FormulaC20H31PS2Se
Molecular Weight445.54 g/mol
Exact Mass446.08
IUPAC Namedicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane
SMILESCC(Sc1ccccc1)[Se]P(=S)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H31PS2Se/c1-17(23-20-15-9-4-10-16-20)24-21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h4,9-10,15-19H,2-3,5-8,11-14H2,1H3
InChIKeyVOQDTZIFOKDINE-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane (CID 132561954) is dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane is CC(Sc1ccccc1)[Se]P(=S)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is VOQDTZIFOKDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31PS2Se/c1-17(23-20-15-9-4-10-16-20)24-21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h4,9-10,15-19H,2-3,5-8,11-14H2,1H3.
What are the key properties of dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane?
dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 445.54 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 132561954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).