2-(methylsulfanylmethyl)oxirane

C4H8OS — CID 548390

IUPAC2-(methylsulfanylmethyl)oxirane
SMILESCSCC1CO1
InChIInChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3
InChIKeyOSIXFNQHNPOVIA-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.75
Rot. Bonds2

About 2-(methylsulfanylmethyl)oxirane

2-(methylsulfanylmethyl)oxirane (PubChem CID 548390) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)oxirane
PubChem CID548390
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-(methylsulfanylmethyl)oxirane
SMILESCSCC1CO1
InChIInChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3
InChIKeyOSIXFNQHNPOVIA-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methylsulfanylmethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)oxirane?
The IUPAC name of 2-(methylsulfanylmethyl)oxirane (CID 548390) is 2-(methylsulfanylmethyl)oxirane.
What is the SMILES notation for 2-(methylsulfanylmethyl)oxirane?
The canonical SMILES for 2-(methylsulfanylmethyl)oxirane is CSCC1CO1.
What is the InChIKey of 2-(methylsulfanylmethyl)oxirane?
The InChIKey is OSIXFNQHNPOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)oxirane?
2-(methylsulfanylmethyl)oxirane has a molecular weight of 104.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)oxirane is sourced from PubChem (CID 548390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).