(furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 18264
• Molecular Formular: C11H13NOS
• Molecular Mass: 207.29202
• Monoisotopic Mass: 207.07178504
• SMILES: s1c(ccc1C)CNCc1occc1
• Canonical SMILES: Cc1ccc(s1)CNCc1ccco1
• InChI: InChI=1S/C11H13NOS/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h2-6,12H,7-8H2,1H3
• InChIKey: OWAJYOFWSDNJDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine
• Synonyms: Furan-2-ylmethyl-(5-methyl-thiophen-2-ylmethyl)-amine; (furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine

Database IDs

• CAS Number: 878452-72-3
• MDL Number: MFCD07365000
• PubChem SID: 160981571
• PubChem CID: 4723153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7903182
• LogD (pH = 7.4): 2.4553196
• Log P: 2.8750565
• Molar Refractivity: 58.2557 cm^3
• Polarizability: 22.401495 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.989

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%