ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane

C3H9O2PS — CID 556615

IUPACethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(O)=S
InChIInChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)
InChIKeyXXNRHOAJIUSMOQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.95
Rot. Bonds2

About ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane

ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane (PubChem CID 556615) has the molecular formula C3H9O2PS and a molecular weight of 140.14 g/mol. Its IUPAC name is ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane
PubChem CID556615
Molecular FormulaC3H9O2PS
Molecular Weight140.14 g/mol
Exact Mass140.01
IUPAC Nameethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(O)=S
InChIInChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)
InChIKeyXXNRHOAJIUSMOQ-UHFFFAOYSA-N
XLogP0.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane (CID 556615) is ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane is CCOP(C)(O)=S.
What is the InChIKey of ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane?
The InChIKey is XXNRHOAJIUSMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7).
What are the key properties of ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane?
ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane has a molecular weight of 140.14 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 556615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).