2-ethylthiirane

• ChemBase ID: 244925
• Molecular Formular: C4H8S
• Molecular Mass: 88.17132
• Monoisotopic Mass: 88.03467126
• SMILES: S1CC1CC
• Canonical SMILES: CCC1CS1
• InChI: InChI=1S/C4H8S/c1-2-4-3-5-4/h4H,2-3H2,1H3
• InChIKey: ZXKFFOMHVCMTEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylthiirane
• IUPAC Traditional name: 2-ethylthiirane
• Synonyms: 2-ethylthiirane

Database IDs

• MDL Number: MFCD06655263
• PubChem SID: 164300835
• PubChem CID: 4961818

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.445957
• LogD (pH = 7.4): 1.445957
• Log P: 1.445957
• Molar Refractivity: 26.2441 cm^3
• Polarizability: 10.436636 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.376

Product Information

• Purity: 95%