2-ethylsulfanylethoxy(diphenyl)phosphane

C16H19OPS — CID 13240542

IUPAC2-ethylsulfanylethoxy(diphenyl)phosphane
SMILESCCSCCOP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OPS/c1-2-19-14-13-17-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyLUADQSFXBIMLBB-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.80
Rot. Bonds7

About 2-ethylsulfanylethoxy(diphenyl)phosphane

2-ethylsulfanylethoxy(diphenyl)phosphane (PubChem CID 13240542) has the molecular formula C16H19OPS and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-ethylsulfanylethoxy(diphenyl)phosphane.

Molecular Properties

Compound Name2-ethylsulfanylethoxy(diphenyl)phosphane
PubChem CID13240542
Molecular FormulaC16H19OPS
Molecular Weight290.37 g/mol
Exact Mass290.09
IUPAC Name2-ethylsulfanylethoxy(diphenyl)phosphane
SMILESCCSCCOP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OPS/c1-2-19-14-13-17-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyLUADQSFXBIMLBB-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethoxy(diphenyl)phosphane?
The IUPAC name of 2-ethylsulfanylethoxy(diphenyl)phosphane (CID 13240542) is 2-ethylsulfanylethoxy(diphenyl)phosphane.
What is the SMILES notation for 2-ethylsulfanylethoxy(diphenyl)phosphane?
The canonical SMILES for 2-ethylsulfanylethoxy(diphenyl)phosphane is CCSCCOP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethylsulfanylethoxy(diphenyl)phosphane?
The InChIKey is LUADQSFXBIMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OPS/c1-2-19-14-13-17-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of 2-ethylsulfanylethoxy(diphenyl)phosphane?
2-ethylsulfanylethoxy(diphenyl)phosphane has a molecular weight of 290.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethoxy(diphenyl)phosphane is sourced from PubChem (CID 13240542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).