4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine

• ChemBase ID: 262255
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: s1c2c(cc1CN)CCC2
• Canonical SMILES: NCc1sc2c(c1)CCC2
• InChI: InChI=1S/C8H11NS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5,9H2
• InChIKey: JFWMSCGNMHKOHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine
• IUPAC Traditional name: 4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine
• Synonyms: 4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine

Database IDs

• MDL Number: MFCD08059503
• PubChem SID: 164318165
• PubChem CID: 24688589

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.785957
• LogD (pH = 7.4): 0.4223965
• Log P: 2.1520207
• Molar Refractivity: 44.2406 cm^3
• Polarizability: 16.973026 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.753

Product Information

• Purity: 95%