2-(ethylsulfinylmethyl)oxirane

C5H10O2S — CID 13284952

IUPAC2-(ethylsulfinylmethyl)oxirane
SMILESCCS(=O)CC1CO1
InChIInChI=1S/C5H10O2S/c1-2-8(6)4-5-3-7-5/h5H,2-4H2,1H3
InChIKeyNUJSJEPCBMRACU-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.15
Rot. Bonds3

About 2-(ethylsulfinylmethyl)oxirane

2-(ethylsulfinylmethyl)oxirane (PubChem CID 13284952) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-(ethylsulfinylmethyl)oxirane.

Molecular Properties

Compound Name2-(ethylsulfinylmethyl)oxirane
PubChem CID13284952
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-(ethylsulfinylmethyl)oxirane
SMILESCCS(=O)CC1CO1
InChIInChI=1S/C5H10O2S/c1-2-8(6)4-5-3-7-5/h5H,2-4H2,1H3
InChIKeyNUJSJEPCBMRACU-UHFFFAOYSA-N
XLogP0.15
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfinylmethyl)oxirane?
The IUPAC name of 2-(ethylsulfinylmethyl)oxirane (CID 13284952) is 2-(ethylsulfinylmethyl)oxirane.
What is the SMILES notation for 2-(ethylsulfinylmethyl)oxirane?
The canonical SMILES for 2-(ethylsulfinylmethyl)oxirane is CCS(=O)CC1CO1.
What is the InChIKey of 2-(ethylsulfinylmethyl)oxirane?
The InChIKey is NUJSJEPCBMRACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-8(6)4-5-3-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-(ethylsulfinylmethyl)oxirane?
2-(ethylsulfinylmethyl)oxirane has a molecular weight of 134.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfinylmethyl)oxirane is sourced from PubChem (CID 13284952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).