thieno[3,2-b]thiophen-2-ylmethanamine

• ChemBase ID: 238600
• Molecular Formular: C7H7NS2
• Molecular Mass: 169.26718
• Monoisotopic Mass: 169.00199123
• SMILES: c12c(sc(c1)CN)ccs2
• Canonical SMILES: NCc1sc2c(c1)scc2
• InChI: InChI=1S/C7H7NS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-3H,4,8H2
• InChIKey: HBYZEDBJHJWQLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]thiophen-2-ylmethanamine
• IUPAC Traditional name: thieno[3,2-b]thiophen-2-ylmethanamine
• Synonyms: thieno[3,2-b]thiophen-2-ylmethanamine

Database IDs

• MDL Number: MFCD08059492
• PubChem SID: 164294510
• PubChem CID: 26369756

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7980387
• LogD (pH = 7.4): 0.71618915
• Log P: 1.9940265
• Molar Refractivity: 44.5455 cm^3
• Polarizability: 18.522402 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): 2.025

Product Information

• Purity: 95%