5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium

C9H22NO2PS2 — CID 87615177

IUPAC5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium
SMILESCC1(C)COP(=S)([S-])OC1.C[N+](C)(C)C
InChIInChI=1S/C5H11O2PS2.C4H12N/c1-5(2)3-6-8(9,10)7-4-5;1-5(2,3)4/h3-4H2,1-2H3,(H,9,10);1-4H3/q;+1/p-1
InChIKeyAPSMCHOAUJSNJF-UHFFFAOYSA-M
MW271.39 g/mol
LogP2.15
Rot. Bonds

About 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium

5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium (PubChem CID 87615177) has the molecular formula C9H22NO2PS2 and a molecular weight of 271.39 g/mol. Its IUPAC name is 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium.

Molecular Properties

Compound Name5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium
PubChem CID87615177
Molecular FormulaC9H22NO2PS2
Molecular Weight271.39 g/mol
Exact Mass271.08
IUPAC Name5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium
SMILESCC1(C)COP(=S)([S-])OC1.C[N+](C)(C)C
InChIInChI=1S/C5H11O2PS2.C4H12N/c1-5(2)3-6-8(9,10)7-4-5;1-5(2,3)4/h3-4H2,1-2H3,(H,9,10);1-4H3/q;+1/p-1
InChIKeyAPSMCHOAUJSNJF-UHFFFAOYSA-M
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium?
The IUPAC name of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium (CID 87615177) is 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium.
What is the SMILES notation for 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium?
The canonical SMILES for 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium is CC1(C)COP(=S)([S-])OC1.C[N+](C)(C)C.
What is the InChIKey of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium?
The InChIKey is APSMCHOAUJSNJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O2PS2.C4H12N/c1-5(2)3-6-8(9,10)7-4-5;1-5(2,3)4/h3-4H2,1-2H3,(H,9,10);1-4H3/q;+1/p-1.
What are the key properties of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium?
5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium has a molecular weight of 271.39 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane;tetramethylazanium is sourced from PubChem (CID 87615177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).