4,5,6,7-tetrahydro-1-benzothiophen-2-amine

• ChemBase ID: 289227
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: Nc1cc2c(CCCC2)s1
• Canonical SMILES: Nc1cc2c(s1)CCCC2
• InChI: InChI=1S/C8H11NS/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4,9H2
• InChIKey: FTGVDKSMUBJBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,6,7-tetrahydro-1-benzothiophen-2-amine
• IUPAC Traditional name: 4,5,6,7-tetrahydro-1-benzothiophen-2-amine
• Synonyms: 4,5,6,7-Tetrahydrobenzo[b]thiophen-2-amine

Database IDs

• CAS Number: 14770-79-7
• PubChem SID: 180674758
• PubChem CID: 7141913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6754515
• LogD (pH = 7.4): 2.6754515
• Log P: 2.6754515
• Molar Refractivity: 44.4444 cm^3
• Polarizability: 16.582209 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%