ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane

C7H17OPS3 — CID 163360472

IUPACethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(OCC)SCC
InChIInChI=1S/C7H17OPS3/c1-4-7-12-9(10,8-5-2)11-6-3/h4-7H2,1-3H3
InChIKeySLXAWPIYZMNNRD-UHFFFAOYSA-N
MW244.39 g/mol
LogP4.14
Rot. Bonds7

About ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane

ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 163360472) has the molecular formula C7H17OPS3 and a molecular weight of 244.39 g/mol. Its IUPAC name is ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID163360472
Molecular FormulaC7H17OPS3
Molecular Weight244.39 g/mol
Exact Mass244.02
IUPAC Nameethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(OCC)SCC
InChIInChI=1S/C7H17OPS3/c1-4-7-12-9(10,8-5-2)11-6-3/h4-7H2,1-3H3
InChIKeySLXAWPIYZMNNRD-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 163360472) is ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane is CCCSP(=S)(OCC)SCC.
What is the InChIKey of ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is SLXAWPIYZMNNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OPS3/c1-4-7-12-9(10,8-5-2)11-6-3/h4-7H2,1-3H3.
What are the key properties of ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane?
ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 244.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethylsulfanyl-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 163360472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).