2-ethoxy-4-methyl-1,3,2-dithiaphosphinane

C6H13OPS2 — CID 12730259

IUPAC2-ethoxy-4-methyl-1,3,2-dithiaphosphinane
SMILESCCOP1SCCC(C)S1
InChIInChI=1S/C6H13OPS2/c1-3-7-8-9-5-4-6(2)10-8/h6H,3-5H2,1-2H3
InChIKeyUFPXAHWHZOQGEE-UHFFFAOYSA-N
MW196.28 g/mol
LogP3.51
Rot. Bonds2

About 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane

2-ethoxy-4-methyl-1,3,2-dithiaphosphinane (PubChem CID 12730259) has the molecular formula C6H13OPS2 and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane.

Molecular Properties

Compound Name2-ethoxy-4-methyl-1,3,2-dithiaphosphinane
PubChem CID12730259
Molecular FormulaC6H13OPS2
Molecular Weight196.28 g/mol
Exact Mass196.01
IUPAC Name2-ethoxy-4-methyl-1,3,2-dithiaphosphinane
SMILESCCOP1SCCC(C)S1
InChIInChI=1S/C6H13OPS2/c1-3-7-8-9-5-4-6(2)10-8/h6H,3-5H2,1-2H3
InChIKeyUFPXAHWHZOQGEE-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethoxy-4-methyl-1,3,2-dithiaphosphinane?
The IUPAC name of 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane (CID 12730259) is 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane.
What is the SMILES notation for 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane?
The canonical SMILES for 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane is CCOP1SCCC(C)S1.
What is the InChIKey of 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane?
The InChIKey is UFPXAHWHZOQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OPS2/c1-3-7-8-9-5-4-6(2)10-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane?
2-ethoxy-4-methyl-1,3,2-dithiaphosphinane has a molecular weight of 196.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-1,3,2-dithiaphosphinane is sourced from PubChem (CID 12730259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).