4H,5H,7H-thieno[2,3-c]pyran-7-ylmethanamine

• ChemBase ID: 236965
• Molecular Formular: C8H11NOS
• Molecular Mass: 169.24404
• Monoisotopic Mass: 169.05613498
• SMILES: c12c(ccs1)CCOC2CN
• Canonical SMILES: NCC1OCCc2c1scc2
• InChI: InChI=1S/C8H11NOS/c9-5-7-8-6(1-3-10-7)2-4-11-8/h2,4,7H,1,3,5,9H2
• InChIKey: RUVLCKYDYIYWBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,7H-thieno[2,3-c]pyran-7-ylmethanamine
• IUPAC Traditional name: 4H,5H,7H-thieno[2,3-c]pyran-7-ylmethanamine
• Synonyms: 4H,5H,7H-thieno[2,3-c]pyran-7-ylmethanamine

Database IDs

• MDL Number: MFCD22196643
• PubChem SID: 164292875
• PubChem CID: 68334727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8006821
• LogD (pH = 7.4): -0.39758345
• Log P: 1.0645757
• Molar Refractivity: 45.4446 cm^3
• Polarizability: 17.755415 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.65

Product Information

• Purity: 95%