2-(5-chlorothiophen-2-yl)morpholine

• ChemBase ID: 285328
• Molecular Formular: C8H10ClNOS
• Molecular Mass: 203.6891
• Monoisotopic Mass: 203.01716263
• SMILES: s1c(ccc1Cl)C1OCCNC1
• Canonical SMILES: Clc1ccc(s1)C1CNCCO1
• InChI: InChI=1S/C8H10ClNOS/c9-8-2-1-7(12-8)6-5-10-3-4-11-6/h1-2,6,10H,3-5H2
• InChIKey: RGQVPNCDNZFEMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chlorothiophen-2-yl)morpholine
• IUPAC Traditional name: 2-(5-chlorothiophen-2-yl)morpholine
• Synonyms: 2-(5-chlorothiophen-2-yl)morpholine

Database IDs

• MDL Number: MFCD12170344
• PubChem SID: 180670859
• PubChem CID: 43439228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1633005
• LogD (pH = 7.4): 1.5392262
• Log P: 2.0557833
• Molar Refractivity: 48.9053 cm^3
• Polarizability: 19.803278 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.551

Product Information

• Purity: 95%