2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C7H15O2PS2 — CID 58139738

IUPAC2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCCSP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C7H15O2PS2/c1-4-12-10(11)8-5-7(2,3)6-9-10/h4-6H2,1-3H3
InChIKeyAGYUGAVQUJNQGX-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.04
Rot. Bonds2

About 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 58139738) has the molecular formula C7H15O2PS2 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID58139738
Molecular FormulaC7H15O2PS2
Molecular Weight226.30 g/mol
Exact Mass226.03
IUPAC Name2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCCSP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C7H15O2PS2/c1-4-12-10(11)8-5-7(2,3)6-9-10/h4-6H2,1-3H3
InChIKeyAGYUGAVQUJNQGX-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
CID 414926
5,5-Dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 23416330
2-Methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 23262274
S-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl) ethanethioate
CID 14922859
2-Butylthio-2-thioxo-1,3,2-dioxaphosphorinane
CID 15467107
(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl) ethanedithioate
CID 101084344
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]ethanol
CID 101452568
5,5-Dimethyl-2-sulfanylidene-2-sulfido-1,3,2lambda5-dioxaphosphinane
CID 102508813
2-(Disulfanyl)-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 13544543
5,5-Dimethyl-2-propylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13608481
2-Methoxy-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185065
2-Methoxy-1,3,2-oxathiaphosphinane
CID 23420035

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 58139738) is 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is CCSP1(=S)OCC(C)(C)CO1.
What is the InChIKey of 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is AGYUGAVQUJNQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2PS2/c1-4-12-10(11)8-5-7(2,3)6-9-10/h4-6H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 226.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 58139738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).