2-ethyloxirane;2-hydroxy-1-phosphanylethanethione

C6H13O2PS — CID 158779602

IUPAC2-ethyloxirane;2-hydroxy-1-phosphanylethanethione
SMILESCCC1CO1.OCC(P)=S
InChIInChI=1S/C4H8O.C2H5OPS/c1-2-4-3-5-4;3-1-2(4)5/h4H,2-3H2,1H3;3H,1,4H2
InChIKeyIQXCOIIPDWGJPZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.98
Rot. Bonds2

About 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione

2-ethyloxirane;2-hydroxy-1-phosphanylethanethione (PubChem CID 158779602) has the molecular formula C6H13O2PS and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione.

Molecular Properties

Compound Name2-ethyloxirane;2-hydroxy-1-phosphanylethanethione
PubChem CID158779602
Molecular FormulaC6H13O2PS
Molecular Weight180.21 g/mol
Exact Mass180.04
IUPAC Name2-ethyloxirane;2-hydroxy-1-phosphanylethanethione
SMILESCCC1CO1.OCC(P)=S
InChIInChI=1S/C4H8O.C2H5OPS/c1-2-4-3-5-4;3-1-2(4)5/h4H,2-3H2,1H3;3H,1,4H2
InChIKeyIQXCOIIPDWGJPZ-UHFFFAOYSA-N
XLogP0.98
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-ethyloxirane
CID 23290341
tetrakis(2-ethyloxirane);methane
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dimethylsilane;2-ethyloxirane
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ethane;2-ethyloxirane;hexane
CID 91113410
oxiran-2-ylmethanol;propane
CID 91466926
2-ethyl-5-iodo-1,4-dioxane
CID 89143595
but-3-en-2-one;2-ethyloxirane;methane
CID 159927441
tris(2-ethyloxirane);tris(oxiran-2-ylmethanol);phenol
CID 159100623
2-ethyloxirane;furan-2,5-dione;propan-1-ol
CID 87063854
4-ethyl-1,3-dioxolane;methane
CID 158064342
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
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butane;2-(chloromethyl)oxirane
CID 174952392

Frequently Asked Questions

What is the IUPAC name of 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione?
The IUPAC name of 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione (CID 158779602) is 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione.
What is the SMILES notation for 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione?
The canonical SMILES for 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione is CCC1CO1.OCC(P)=S.
What is the InChIKey of 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione?
The InChIKey is IQXCOIIPDWGJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H5OPS/c1-2-4-3-5-4;3-1-2(4)5/h4H,2-3H2,1H3;3H,1,4H2.
What are the key properties of 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione?
2-ethyloxirane;2-hydroxy-1-phosphanylethanethione has a molecular weight of 180.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxirane;2-hydroxy-1-phosphanylethanethione is sourced from PubChem (CID 158779602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).