2-[(thiophen-2-ylmethoxy)methyl]oxirane

• ChemBase ID: 234387
• Molecular Formular: C8H10O2S
• Molecular Mass: 170.2288
• Monoisotopic Mass: 170.04015056
• SMILES: O1C(C1)COCc1sccc1
• Canonical SMILES: O(Cc1cccs1)CC1CO1
• InChI: InChI=1S/C8H10O2S/c1-2-8(11-3-1)6-9-4-7-5-10-7/h1-3,7H,4-6H2
• InChIKey: HHAXOENJRXKJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(thiophen-2-ylmethoxy)methyl]oxirane
• IUPAC Traditional name: 2-[(thiophen-2-ylmethoxy)methyl]oxirane
• Synonyms: 2-[(thien-2-ylmethoxy)methyl]oxirane

Database IDs

• MDL Number: MFCD06655034
• PubChem SID: 164290297
• PubChem CID: 3595476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6031705
• LogD (pH = 7.4): 1.6031705
• Log P: 1.6031705
• Molar Refractivity: 43.2597 cm^3
• Polarizability: 17.029587 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 178°C
• Hydrophobicity(logP): 1.287

Product Information

• Purity: 95%