diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane

C6H15PS2 — CID 3533356

IUPACdiethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCSP(=S)(CC)CC
InChIInChI=1S/C6H15PS2/c1-4-7(8,5-2)9-6-3/h4-6H2,1-3H3
InChIKeySDPXCWXDTVAHDN-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.17
Rot. Bonds4

About diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane

diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 3533356) has the molecular formula C6H15PS2 and a molecular weight of 182.29 g/mol. Its IUPAC name is diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID3533356
Molecular FormulaC6H15PS2
Molecular Weight182.29 g/mol
Exact Mass182.04
IUPAC Namediethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCSP(=S)(CC)CC
InChIInChI=1S/C6H15PS2/c1-4-7(8,5-2)9-6-3/h4-6H2,1-3H3
InChIKeySDPXCWXDTVAHDN-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane (CID 3533356) is diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane is CCSP(=S)(CC)CC.
What is the InChIKey of diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is SDPXCWXDTVAHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS2/c1-4-7(8,5-2)9-6-3/h4-6H2,1-3H3.
What are the key properties of diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane?
diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 182.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-ethylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3533356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).