2-methoxy-1,3,2-oxathiaphosphinane

C4H9O2PS — CID 23420035

IUPAC2-methoxy-1,3,2-oxathiaphosphinane
SMILESCOP1OCCCS1
InChIInChI=1S/C4H9O2PS/c1-5-7-6-3-2-4-8-7/h2-4H2,1H3
InChIKeyXBBHIUVVOYXAQH-UHFFFAOYSA-N
MW152.15 g/mol
LogP2.01
Rot. Bonds1

About 2-methoxy-1,3,2-oxathiaphosphinane

2-methoxy-1,3,2-oxathiaphosphinane (PubChem CID 23420035) has the molecular formula C4H9O2PS and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-methoxy-1,3,2-oxathiaphosphinane.

Molecular Properties

Compound Name2-methoxy-1,3,2-oxathiaphosphinane
PubChem CID23420035
Molecular FormulaC4H9O2PS
Molecular Weight152.15 g/mol
Exact Mass152.01
IUPAC Name2-methoxy-1,3,2-oxathiaphosphinane
SMILESCOP1OCCCS1
InChIInChI=1S/C4H9O2PS/c1-5-7-6-3-2-4-8-7/h2-4H2,1H3
InChIKeyXBBHIUVVOYXAQH-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 52.01
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-methoxy-1,3,2-oxathiaphosphinane?
The IUPAC name of 2-methoxy-1,3,2-oxathiaphosphinane (CID 23420035) is 2-methoxy-1,3,2-oxathiaphosphinane.
What is the SMILES notation for 2-methoxy-1,3,2-oxathiaphosphinane?
The canonical SMILES for 2-methoxy-1,3,2-oxathiaphosphinane is COP1OCCCS1.
What is the InChIKey of 2-methoxy-1,3,2-oxathiaphosphinane?
The InChIKey is XBBHIUVVOYXAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2PS/c1-5-7-6-3-2-4-8-7/h2-4H2,1H3.
What are the key properties of 2-methoxy-1,3,2-oxathiaphosphinane?
2-methoxy-1,3,2-oxathiaphosphinane has a molecular weight of 152.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3,2-oxathiaphosphinane is sourced from PubChem (CID 23420035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).