[ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane

C18H25O2PS2 — CID 18697534

IUPAC[ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane
SMILESCCOP(=O)(SCC)S(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H25O2PS2/c1-4-20-21(19,22-5-2)23(6-3,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3
InChIKeyCHPKULLDVFWEBB-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.83
Rot. Bonds8

About [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane

[ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane (PubChem CID 18697534) has the molecular formula C18H25O2PS2 and a molecular weight of 368.50 g/mol. Its IUPAC name is [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane.

Molecular Properties

Compound Name[ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane
PubChem CID18697534
Molecular FormulaC18H25O2PS2
Molecular Weight368.50 g/mol
Exact Mass368.10
IUPAC Name[ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane
SMILESCCOP(=O)(SCC)S(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H25O2PS2/c1-4-20-21(19,22-5-2)23(6-3,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3
InChIKeyCHPKULLDVFWEBB-UHFFFAOYSA-N
XLogP6.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane?
The IUPAC name of [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane (CID 18697534) is [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane.
What is the SMILES notation for [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane?
The canonical SMILES for [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane is CCOP(=O)(SCC)S(CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane?
The InChIKey is CHPKULLDVFWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O2PS2/c1-4-20-21(19,22-5-2)23(6-3,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3.
What are the key properties of [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane?
[ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane has a molecular weight of 368.50 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-λ4-sulfane is sourced from PubChem (CID 18697534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).