ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane

C5H13OPS2 — CID 565350

IUPACethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(=S)SCC
InChIInChI=1S/C5H13OPS2/c1-4-6-7(3,8)9-5-2/h4-5H2,1-3H3
InChIKeyZVBBDXUIKJNQOD-UHFFFAOYSA-N
MW184.27 g/mol
LogP2.72
Rot. Bonds4

About ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane

ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane (PubChem CID 565350) has the molecular formula C5H13OPS2 and a molecular weight of 184.27 g/mol. Its IUPAC name is ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane
PubChem CID565350
Molecular FormulaC5H13OPS2
Molecular Weight184.27 g/mol
Exact Mass184.01
IUPAC Nameethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(=S)SCC
InChIInChI=1S/C5H13OPS2/c1-4-6-7(3,8)9-5-2/h4-5H2,1-3H3
InChIKeyZVBBDXUIKJNQOD-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl phosphorodithioate (6CI,7CI)
CID 17306
Phosphorochloridodithioic acid, O-ethyl S-propyl ester
CID 170605
Phosphorotrithioic acid, O,S,S-triethyl ester
CID 76871
Diethyldithiophosphate
CID 53249491
Diethyldithiophosphonate
CID 57349655
O,S-Diethyl S-propyl phosphorotrithioate
CID 163360472
2-Methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185064
Chloro-ethoxy-ethylsulfanylphosphane
CID 13763774
S-2-ethylmercaptoethyl methylthiophosphanate
CID 129762988
Dipropyldithiophosphonate
CID 129805568
Ethoxy-ethyl-ethylsulfanylphosphane
CID 134977082
2-Propyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 170850808

Frequently Asked Questions

What is the IUPAC name of ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane (CID 565350) is ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane is CCOP(C)(=S)SCC.
What is the InChIKey of ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane?
The InChIKey is ZVBBDXUIKJNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OPS2/c1-4-6-7(3,8)9-5-2/h4-5H2,1-3H3.
What are the key properties of ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane?
ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane has a molecular weight of 184.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethylsulfanyl-methyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 565350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).