4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine

• ChemBase ID: 92220
• Molecular Formular: C8H11NOS
• Molecular Mass: 169.24404
• Monoisotopic Mass: 169.05613498
• SMILES: s1ccc2c1CCOC2CN
• Canonical SMILES: NCC1OCCc2c1ccs2
• InChI: InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2
• InChIKey: NMVKUIFBCHQTHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine
• IUPAC Traditional name: 4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine
• Synonyms: (6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamine; 4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine; 1-(6,7-Dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamine 97%

Database IDs

• CAS Number: 63932-26-3
• MDL Number: MFCD08690319
• PubChem SID: 162078918
• PubChem CID: 12225896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8292842
• LogD (pH = 7.4): -0.48818913
• Log P: 1.0645757
• Molar Refractivity: 45.555 cm^3
• Polarizability: 17.754757 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

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 97%