2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane

C4H9OPS3 — CID 23416314

IUPAC2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESCOP1(=S)SCCCS1
InChIInChI=1S/C4H9OPS3/c1-5-6(7)8-3-2-4-9-6/h2-4H2,1H3
InChIKeyPZYDGUHOKKCMFU-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.73
Rot. Bonds1

About 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane

2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (PubChem CID 23416314) has the molecular formula C4H9OPS3 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.

Molecular Properties

Compound Name2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
PubChem CID23416314
Molecular FormulaC4H9OPS3
Molecular Weight200.29 g/mol
Exact Mass199.96
IUPAC Name2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESCOP1(=S)SCCCS1
InChIInChI=1S/C4H9OPS3/c1-5-6(7)8-3-2-4-9-6/h2-4H2,1H3
InChIKeyPZYDGUHOKKCMFU-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The IUPAC name of 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (CID 23416314) is 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.
What is the SMILES notation for 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The canonical SMILES for 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is COP1(=S)SCCCS1.
What is the InChIKey of 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The InChIKey is PZYDGUHOKKCMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OPS3/c1-5-6(7)8-3-2-4-9-6/h2-4H2,1H3.
What are the key properties of 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane has a molecular weight of 200.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is sourced from PubChem (CID 23416314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).