2-ethylsulfanyloxirane

C4H8OS — CID 129022611

IUPAC2-ethylsulfanyloxirane
SMILESCCSC1CO1
InChIInChI=1S/C4H8OS/c1-2-6-4-3-5-4/h4H,2-3H2,1H3
InChIKeyIYXBYZLVXNVALB-UHFFFAOYSA-N
MW104.17 g/mol
LogP1.10
Rot. Bonds2

About 2-ethylsulfanyloxirane

2-ethylsulfanyloxirane (PubChem CID 129022611) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-ethylsulfanyloxirane.

Molecular Properties

Compound Name2-ethylsulfanyloxirane
PubChem CID129022611
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-ethylsulfanyloxirane
SMILESCCSC1CO1
InChIInChI=1S/C4H8OS/c1-2-6-4-3-5-4/h4H,2-3H2,1H3
InChIKeyIYXBYZLVXNVALB-UHFFFAOYSA-N
XLogP1.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.10
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-ethylsulfanyloxirane?
The IUPAC name of 2-ethylsulfanyloxirane (CID 129022611) is 2-ethylsulfanyloxirane.
What is the SMILES notation for 2-ethylsulfanyloxirane?
The canonical SMILES for 2-ethylsulfanyloxirane is CCSC1CO1.
What is the InChIKey of 2-ethylsulfanyloxirane?
The InChIKey is IYXBYZLVXNVALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-2-6-4-3-5-4/h4H,2-3H2,1H3.
What are the key properties of 2-ethylsulfanyloxirane?
2-ethylsulfanyloxirane has a molecular weight of 104.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyloxirane is sourced from PubChem (CID 129022611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).