2-dimethoxyphosphoryl-2-methoxythiirane

C5H11O4PS — CID 71326810

IUPAC2-dimethoxyphosphoryl-2-methoxythiirane
SMILESCOC1(P(=O)(OC)OC)CS1
InChIInChI=1S/C5H11O4PS/c1-7-5(4-11-5)10(6,8-2)9-3/h4H2,1-3H3
InChIKeyKEVWSQWHSJBQBR-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.52
Rot. Bonds4

About 2-dimethoxyphosphoryl-2-methoxythiirane

2-dimethoxyphosphoryl-2-methoxythiirane (PubChem CID 71326810) has the molecular formula C5H11O4PS and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-2-methoxythiirane.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-2-methoxythiirane
PubChem CID71326810
Molecular FormulaC5H11O4PS
Molecular Weight198.18 g/mol
Exact Mass198.01
IUPAC Name2-dimethoxyphosphoryl-2-methoxythiirane
SMILESCOC1(P(=O)(OC)OC)CS1
InChIInChI=1S/C5H11O4PS/c1-7-5(4-11-5)10(6,8-2)9-3/h4H2,1-3H3
InChIKeyKEVWSQWHSJBQBR-UHFFFAOYSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-2-methoxythiirane?
The IUPAC name of 2-dimethoxyphosphoryl-2-methoxythiirane (CID 71326810) is 2-dimethoxyphosphoryl-2-methoxythiirane.
What is the SMILES notation for 2-dimethoxyphosphoryl-2-methoxythiirane?
The canonical SMILES for 2-dimethoxyphosphoryl-2-methoxythiirane is COC1(P(=O)(OC)OC)CS1.
What is the InChIKey of 2-dimethoxyphosphoryl-2-methoxythiirane?
The InChIKey is KEVWSQWHSJBQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4PS/c1-7-5(4-11-5)10(6,8-2)9-3/h4H2,1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-2-methoxythiirane?
2-dimethoxyphosphoryl-2-methoxythiirane has a molecular weight of 198.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-2-methoxythiirane is sourced from PubChem (CID 71326810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).