ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane

C7H17PS2 — CID 4249267

IUPACethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane
SMILESCCCP(=S)(CC)SCC
InChIInChI=1S/C7H17PS2/c1-4-7-8(9,5-2)10-6-3/h4-7H2,1-3H3
InChIKeyNSZDVIRUDVHCEO-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.56
Rot. Bonds5

About ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane

ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane (PubChem CID 4249267) has the molecular formula C7H17PS2 and a molecular weight of 196.32 g/mol. Its IUPAC name is ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane
PubChem CID4249267
Molecular FormulaC7H17PS2
Molecular Weight196.32 g/mol
Exact Mass196.05
IUPAC Nameethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane
SMILESCCCP(=S)(CC)SCC
InChIInChI=1S/C7H17PS2/c1-4-7-8(9,5-2)10-6-3/h4-7H2,1-3H3
InChIKeyNSZDVIRUDVHCEO-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.56
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 ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane (CID 4249267) is ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane is CCCP(=S)(CC)SCC.
What is the InChIKey of ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane?
The InChIKey is NSZDVIRUDVHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17PS2/c1-4-7-8(9,5-2)10-6-3/h4-7H2,1-3H3.
What are the key properties of ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane?
ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane has a molecular weight of 196.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylsulfanyl-propyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 4249267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).