cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane

C14H21OPS2 — CID 165353283

IUPACcyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane
SMILESCCSP(=S)(Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H21OPS2/c1-2-18-16(17,14-11-7-4-8-12-14)15-13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3
InChIKeyFRIJIUAGZXLCBR-UHFFFAOYSA-N
MW300.43 g/mol
LogP5.46
Rot. Bonds5

About cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane

cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane (PubChem CID 165353283) has the molecular formula C14H21OPS2 and a molecular weight of 300.43 g/mol. Its IUPAC name is cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane
PubChem CID165353283
Molecular FormulaC14H21OPS2
Molecular Weight300.43 g/mol
Exact Mass300.08
IUPAC Namecyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane
SMILESCCSP(=S)(Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H21OPS2/c1-2-18-16(17,14-11-7-4-8-12-14)15-13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3
InChIKeyFRIJIUAGZXLCBR-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butylsulfanyl-cyclohexyl-phenyl-sulfanylidene-λ5-phosphane
CID 21391655
[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene
CID 137470215
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
2-diphenoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 12878832
[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
CID 98141630
2-phenoxycyclooctan-1-ol
CID 22247671
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
CID 14812628
hydron;phenyl cycloheptanecarboxylate
CID 174768034
1,3-bis(dicyclohexylphosphoryloxy)benzene
CID 54046886
cyclohexylmethoxybenzene
CID 14399287
dicyclohexyl-(1-phenylsulfanylethylselanyl)-sulfanylidene-λ5-phosphane
CID 132561954

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane (CID 165353283) is cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane is CCSP(=S)(Oc1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane?
The InChIKey is FRIJIUAGZXLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21OPS2/c1-2-18-16(17,14-11-7-4-8-12-14)15-13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3.
What are the key properties of cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane?
cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane has a molecular weight of 300.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 165353283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).