1-diethylphosphinothioylsulfanylpropan-2-one

C7H15OPS2 — CID 23269048

IUPAC1-diethylphosphinothioylsulfanylpropan-2-one
SMILESCCP(=S)(CC)SCC(C)=O
InChIInChI=1S/C7H15OPS2/c1-4-9(10,5-2)11-6-7(3)8/h4-6H2,1-3H3
InChIKeyNYARKTSZBVHRES-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.74
Rot. Bonds5

About 1-diethylphosphinothioylsulfanylpropan-2-one

1-diethylphosphinothioylsulfanylpropan-2-one (PubChem CID 23269048) has the molecular formula C7H15OPS2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-diethylphosphinothioylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-diethylphosphinothioylsulfanylpropan-2-one
PubChem CID23269048
Molecular FormulaC7H15OPS2
Molecular Weight210.30 g/mol
Exact Mass210.03
IUPAC Name1-diethylphosphinothioylsulfanylpropan-2-one
SMILESCCP(=S)(CC)SCC(C)=O
InChIInChI=1S/C7H15OPS2/c1-4-9(10,5-2)11-6-7(3)8/h4-6H2,1-3H3
InChIKeyNYARKTSZBVHRES-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.74
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-oxopropyl ethanedithioate
CID 89230036
3-deuteriobutan-2-one
CID 159540848
3-deuteriobutan-2-one;propane
CID 158792015
1-(3-methylbut-2-en-2-ylsulfanyl)propan-2-one
CID 12859457
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
2-(2-oxopropyldisulfanyl)acetyl iodide
CID 88941427
ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524
propane;propan-2-one
CID 90822370
ethyl acetate;λ2-plumbane
CID 173068495
butan-2-one;oxotin
CID 57474512
butan-2-one;methanol;hydrate
CID 18949731

Frequently Asked Questions

What is the IUPAC name of 1-diethylphosphinothioylsulfanylpropan-2-one?
The IUPAC name of 1-diethylphosphinothioylsulfanylpropan-2-one (CID 23269048) is 1-diethylphosphinothioylsulfanylpropan-2-one.
What is the SMILES notation for 1-diethylphosphinothioylsulfanylpropan-2-one?
The canonical SMILES for 1-diethylphosphinothioylsulfanylpropan-2-one is CCP(=S)(CC)SCC(C)=O.
What is the InChIKey of 1-diethylphosphinothioylsulfanylpropan-2-one?
The InChIKey is NYARKTSZBVHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OPS2/c1-4-9(10,5-2)11-6-7(3)8/h4-6H2,1-3H3.
What are the key properties of 1-diethylphosphinothioylsulfanylpropan-2-one?
1-diethylphosphinothioylsulfanylpropan-2-one has a molecular weight of 210.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphinothioylsulfanylpropan-2-one is sourced from PubChem (CID 23269048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).