2-diethoxyphosphinothioylsulfanylcyclopentan-1-one

C9H17O3PS2 — CID 102057554

IUPAC2-diethoxyphosphinothioylsulfanylcyclopentan-1-one
SMILESCCOP(=S)(OCC)SC1CCCC1=O
InChIInChI=1S/C9H17O3PS2/c1-3-11-13(14,12-4-2)15-9-7-5-6-8(9)10/h9H,3-7H2,1-2H3
InChIKeyBSTOPBKNDJSUIZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.14
Rot. Bonds6

About 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one

2-diethoxyphosphinothioylsulfanylcyclopentan-1-one (PubChem CID 102057554) has the molecular formula C9H17O3PS2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-diethoxyphosphinothioylsulfanylcyclopentan-1-one
PubChem CID102057554
Molecular FormulaC9H17O3PS2
Molecular Weight268.34 g/mol
Exact Mass268.04
IUPAC Name2-diethoxyphosphinothioylsulfanylcyclopentan-1-one
SMILESCCOP(=S)(OCC)SC1CCCC1=O
InChIInChI=1S/C9H17O3PS2/c1-3-11-13(14,12-4-2)15-9-7-5-6-8(9)10/h9H,3-7H2,1-2H3
InChIKeyBSTOPBKNDJSUIZ-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-ethyl (2-oxocyclohexyl)sulfanylmethanethioate
CID 10798885
2-(2-methylpropylsulfanyl)cyclopentan-1-one
CID 43412809
2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-one
CID 66137047
diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
CID 11043454
cyclohexanone;(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane;2,3-dihydro-1H-indole
CID 121418019
1-diethoxyphosphinothioylsulfanylpyrrole-2,5-dione
CID 88799564
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 54537627
2-(3-ethoxypropyl)cyclopentan-1-one
CID 65180867
2-(cyclopentylmethylsulfanyl)cyclohexan-1-one
CID 18328526
2-[1,3-diethoxy-3-(2-oxocyclohexyl)propyl]cyclohexan-1-one
CID 13445935
2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentan-1-one
CID 60627063

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one?
The IUPAC name of 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one (CID 102057554) is 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one.
What is the SMILES notation for 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one?
The canonical SMILES for 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one is CCOP(=S)(OCC)SC1CCCC1=O.
What is the InChIKey of 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one?
The InChIKey is BSTOPBKNDJSUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3PS2/c1-3-11-13(14,12-4-2)15-9-7-5-6-8(9)10/h9H,3-7H2,1-2H3.
What are the key properties of 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one?
2-diethoxyphosphinothioylsulfanylcyclopentan-1-one has a molecular weight of 268.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphinothioylsulfanylcyclopentan-1-one is sourced from PubChem (CID 102057554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).