ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane

C8H19OPS3 — CID 59273191

IUPACethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(OCC)SCCC
InChIInChI=1S/C8H19OPS3/c1-4-7-12-10(11,9-6-3)13-8-5-2/h4-8H2,1-3H3
InChIKeyXYYUIQUVFXNZRP-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.53
Rot. Bonds8

About ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane

ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 59273191) has the molecular formula C8H19OPS3 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID59273191
Molecular FormulaC8H19OPS3
Molecular Weight258.41 g/mol
Exact Mass258.03
IUPAC Nameethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(OCC)SCCC
InChIInChI=1S/C8H19OPS3/c1-4-7-12-10(11,9-6-3)13-8-5-2/h4-8H2,1-3H3
InChIKeyXYYUIQUVFXNZRP-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.53
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-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane (CID 59273191) is ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane is CCCSP(=S)(OCC)SCCC.
What is the InChIKey of ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is XYYUIQUVFXNZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OPS3/c1-4-7-12-10(11,9-6-3)13-8-5-2/h4-8H2,1-3H3.
What are the key properties of ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane?
ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 258.41 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-bis(propylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 59273191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).