2-ethoxy-1,3,2-dithiaphosphinane

C5H11OPS2 — CID 12730258

IUPAC2-ethoxy-1,3,2-dithiaphosphinane
SMILESCCOP1SCCCS1
InChIInChI=1S/C5H11OPS2/c1-2-6-7-8-4-3-5-9-7/h2-5H2,1H3
InChIKeyLNMLZYFTDIPLQZ-UHFFFAOYSA-N
MW182.25 g/mol
LogP3.12
Rot. Bonds2

About 2-ethoxy-1,3,2-dithiaphosphinane

2-ethoxy-1,3,2-dithiaphosphinane (PubChem CID 12730258) has the molecular formula C5H11OPS2 and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-ethoxy-1,3,2-dithiaphosphinane.

Molecular Properties

Compound Name2-ethoxy-1,3,2-dithiaphosphinane
PubChem CID12730258
Molecular FormulaC5H11OPS2
Molecular Weight182.25 g/mol
Exact Mass182.00
IUPAC Name2-ethoxy-1,3,2-dithiaphosphinane
SMILESCCOP1SCCCS1
InChIInChI=1S/C5H11OPS2/c1-2-6-7-8-4-3-5-9-7/h2-5H2,1H3
InChIKeyLNMLZYFTDIPLQZ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 53.12
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

Phosphorotrithioic acid, O,S,S-triethyl ester
CID 76871
Phosphorochloridodithioic acid, O-ethyl S-propyl ester
CID 170605
1,3-Butylene n-butyl dithiophosphite
CID 129810560
Diethyldithiophosphonate
CID 57349655
O,S-Diethyl S-propyl phosphorotrithioate
CID 163360472
2-Methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185064
Ethoxy-bis(propylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 59273191
2-Butylthio-2-thioxo-1,3,2-dioxaphosphorinane
CID 15467107
Dipropyldithiophosphonate
CID 129805568
Propyl butyl dithiophosphonate
CID 129823534
2-Propyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 170850808
2-Ethyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 170850809

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3,2-dithiaphosphinane?
The IUPAC name of 2-ethoxy-1,3,2-dithiaphosphinane (CID 12730258) is 2-ethoxy-1,3,2-dithiaphosphinane.
What is the SMILES notation for 2-ethoxy-1,3,2-dithiaphosphinane?
The canonical SMILES for 2-ethoxy-1,3,2-dithiaphosphinane is CCOP1SCCCS1.
What is the InChIKey of 2-ethoxy-1,3,2-dithiaphosphinane?
The InChIKey is LNMLZYFTDIPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OPS2/c1-2-6-7-8-4-3-5-9-7/h2-5H2,1H3.
What are the key properties of 2-ethoxy-1,3,2-dithiaphosphinane?
2-ethoxy-1,3,2-dithiaphosphinane has a molecular weight of 182.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,2-dithiaphosphinane is sourced from PubChem (CID 12730258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).