bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane

C7H13PS4 — CID 170529179

IUPACbis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane
SMILESC#CCSP(=S)(SCC)SCC
InChIInChI=1S/C7H13PS4/c1-4-7-12-8(9,10-5-2)11-6-3/h1H,5-7H2,2-3H3
InChIKeyLCHAUEYKSVBDSV-UHFFFAOYSA-N
MW256.42 g/mol
LogP4.08
Rot. Bonds6

About bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane

bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 170529179) has the molecular formula C7H13PS4 and a molecular weight of 256.42 g/mol. Its IUPAC name is bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID170529179
Molecular FormulaC7H13PS4
Molecular Weight256.42 g/mol
Exact Mass255.96
IUPAC Namebis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane
SMILESC#CCSP(=S)(SCC)SCC
InChIInChI=1S/C7H13PS4/c1-4-7-12-8(9,10-5-2)11-6-3/h1H,5-7H2,2-3H3
InChIKeyLCHAUEYKSVBDSV-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane (CID 170529179) is bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane is C#CCSP(=S)(SCC)SCC.
What is the InChIKey of bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is LCHAUEYKSVBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13PS4/c1-4-7-12-8(9,10-5-2)11-6-3/h1H,5-7H2,2-3H3.
What are the key properties of bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane?
bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 256.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 170529179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).