(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium

C11H23O5P2S2+ — CID 89115104

IUPAC(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium
SMILESCOCC(C)(C)CO[P+](=S)OP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C11H23O5P2S2/c1-10(2,6-12-5)7-13-17(19)16-18(20)14-8-11(3,4)9-15-18/h6-9H2,1-5H3/q+1
InChIKeyJFPXUXROZLXDIG-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.76
Rot. Bonds7

About (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium

(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium (PubChem CID 89115104) has the molecular formula C11H23O5P2S2+ and a molecular weight of 361.38 g/mol. Its IUPAC name is (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium.

Molecular Properties

Compound Name(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium
PubChem CID89115104
Molecular FormulaC11H23O5P2S2+
Molecular Weight361.38 g/mol
Exact Mass361.05
IUPAC Name(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium
SMILESCOCC(C)(C)CO[P+](=S)OP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C11H23O5P2S2/c1-10(2,6-12-5)7-13-17(19)16-18(20)14-8-11(3,4)9-15-18/h6-9H2,1-5H3/q+1
InChIKeyJFPXUXROZLXDIG-UHFFFAOYSA-N
XLogP3.76
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium 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-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium?
The IUPAC name of (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium (CID 89115104) is (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium.
What is the SMILES notation for (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium?
The canonical SMILES for (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium is COCC(C)(C)CO[P+](=S)OP1(=S)OCC(C)(C)CO1.
What is the InChIKey of (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium?
The InChIKey is JFPXUXROZLXDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P2S2/c1-10(2,6-12-5)7-13-17(19)16-18(20)14-8-11(3,4)9-15-18/h6-9H2,1-5H3/q+1.
What are the key properties of (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium?
(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium has a molecular weight of 361.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium is sourced from PubChem (CID 89115104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).