2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane

C20H27PS — CID 11484327

IUPAC2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane
SMILESCCSCCP(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H27PS/c1-2-22-18-17-21(15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKeyQGWSFPUXYVCBOL-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.71
Rot. Bonds10

About 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane

2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane (PubChem CID 11484327) has the molecular formula C20H27PS and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane.

Molecular Properties

Compound Name2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane
PubChem CID11484327
Molecular FormulaC20H27PS
Molecular Weight330.48 g/mol
Exact Mass330.16
IUPAC Name2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane
SMILESCCSCCP(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H27PS/c1-2-22-18-17-21(15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKeyQGWSFPUXYVCBOL-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethylsulfanylpentylbenzene
CID 90738401
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphane
CID 3075455
4-ethylsulfanyl-1-phenylbutan-2-one
CID 12530333
benzyl-methyl-propylphosphane
CID 13024967
benzene;2-phenylethylbenzene
CID 18982764
2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine
CID 102366508
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
CID 114333571
triethyl(3-phenylpropyl)azanium
CID 54135056
ethane;methane;2-phenylethylbenzene
CID 158652330

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane?
The IUPAC name of 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane (CID 11484327) is 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane.
What is the SMILES notation for 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane?
The canonical SMILES for 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane is CCSCCP(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane?
The InChIKey is QGWSFPUXYVCBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27PS/c1-2-22-18-17-21(15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3.
What are the key properties of 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane?
2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane has a molecular weight of 330.48 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane is sourced from PubChem (CID 11484327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).