2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

C5H11OPS2 — CID 170850809

IUPAC2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESCCP1(=S)OCCCS1
InChIInChI=1S/C5H11OPS2/c1-2-7(8)6-4-3-5-9-7/h2-5H2,1H3
InChIKeyKTDVHYFLLAFVSJ-UHFFFAOYSA-N
MW182.25 g/mol
LogP2.47
Rot. Bonds1

About 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (PubChem CID 170850809) has the molecular formula C5H11OPS2 and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.

Molecular Properties

Compound Name2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
PubChem CID170850809
Molecular FormulaC5H11OPS2
Molecular Weight182.25 g/mol
Exact Mass182.00
IUPAC Name2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESCCP1(=S)OCCCS1
InChIInChI=1S/C5H11OPS2/c1-2-7(8)6-4-3-5-9-7/h2-5H2,1H3
InChIKeyKTDVHYFLLAFVSJ-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 52.47
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

2-Methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185064
O,S-Diethyl methylphosphonodithioate
CID 565350
Dipropyldithiophosphonate
CID 129805568
Ethoxy-ethyl-ethylsulfanylphosphane
CID 134977082
2-Propyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 170850808
2-Ethoxy-1,3,2-dithiaphosphinane
CID 12730258
2-Ethoxy-4-methyl-1,3,2-dithiaphosphinane
CID 12730259
2-Methoxy-1,3,2-dithiaphosphinane
CID 13542818
2-Ethoxy-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 21674354
2-Ethoxy-4-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 21674362
Butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-lambda5-phosphane
CID 23263335
2-Methoxy-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 23416314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The IUPAC name of 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (CID 170850809) is 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.
What is the SMILES notation for 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The canonical SMILES for 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is CCP1(=S)OCCCS1.
What is the InChIKey of 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The InChIKey is KTDVHYFLLAFVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OPS2/c1-2-7(8)6-4-3-5-9-7/h2-5H2,1H3.
What are the key properties of 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane has a molecular weight of 182.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is sourced from PubChem (CID 170850809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).