2-(ethenylsulfanylmethyl)oxirane

C5H8OS — CID 14572693

IUPAC2-(ethenylsulfanylmethyl)oxirane
SMILESC=CSCC1CO1
InChIInChI=1S/C5H8OS/c1-2-7-4-5-3-6-5/h2,5H,1,3-4H2
InChIKeyDXLPLHHVIJFHON-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.26
Rot. Bonds3

About 2-(ethenylsulfanylmethyl)oxirane

2-(ethenylsulfanylmethyl)oxirane (PubChem CID 14572693) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2-(ethenylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name2-(ethenylsulfanylmethyl)oxirane
PubChem CID14572693
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2-(ethenylsulfanylmethyl)oxirane
SMILESC=CSCC1CO1
InChIInChI=1S/C5H8OS/c1-2-7-4-5-3-6-5/h2,5H,1,3-4H2
InChIKeyDXLPLHHVIJFHON-UHFFFAOYSA-N
XLogP1.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.26
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-(ethenylsulfanylmethyl)oxirane?
The IUPAC name of 2-(ethenylsulfanylmethyl)oxirane (CID 14572693) is 2-(ethenylsulfanylmethyl)oxirane.
What is the SMILES notation for 2-(ethenylsulfanylmethyl)oxirane?
The canonical SMILES for 2-(ethenylsulfanylmethyl)oxirane is C=CSCC1CO1.
What is the InChIKey of 2-(ethenylsulfanylmethyl)oxirane?
The InChIKey is DXLPLHHVIJFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-7-4-5-3-6-5/h2,5H,1,3-4H2.
What are the key properties of 2-(ethenylsulfanylmethyl)oxirane?
2-(ethenylsulfanylmethyl)oxirane has a molecular weight of 116.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylsulfanylmethyl)oxirane is sourced from PubChem (CID 14572693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).