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

C6H13O2PS2 — CID 23416330

IUPAC5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCSP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C6H13O2PS2/c1-6(2)4-7-9(10,11-3)8-5-6/h4-5H2,1-3H3
InChIKeyQEZLMHXMZGUVTG-UHFFFAOYSA-N
MW212.28 g/mol
LogP2.65
Rot. Bonds1

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

5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 23416330) has the molecular formula C6H13O2PS2 and a molecular weight of 212.28 g/mol. Its IUPAC name is 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID23416330
Molecular FormulaC6H13O2PS2
Molecular Weight212.28 g/mol
Exact Mass212.01
IUPAC Name5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCSP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C6H13O2PS2/c1-6(2)4-7-9(10,11-3)8-5-6/h4-5H2,1-3H3
InChIKeyQEZLMHXMZGUVTG-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 23416330) is 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is CSP1(=S)OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is QEZLMHXMZGUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2PS2/c1-6(2)4-7-9(10,11-3)8-5-6/h4-5H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 212.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 23416330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).