thieno[2,3-b]pyridin-3-amine

• ChemBase ID: 43842
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c12c(scc1N)nccc2
• Canonical SMILES: Nc1csc2c1cccn2
• InChI: InChI=1S/C7H6N2S/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,8H2
• InChIKey: FIJSXJNXPHKJIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyridin-3-amine
• IUPAC Traditional name: thieno[2,3-b]pyridin-3-amine
• Synonyms: Thieno[2,3-b]pyridin-3-amine; 3-Aminothieno[2,3-b]pyridine; Thieno[2,3-b]pyridin-3-ylamine

Database IDs

• CAS Number: 26579-54-4
• MDL Number: MFCD11869737
• PubChem SID: 162048605
• PubChem CID: 289923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1701233
• LogD (pH = 7.4): 1.1701342
• Log P: 1.1701343
• Molar Refractivity: 41.8942 cm^3
• Polarizability: 16.048527 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98 °C; 96-98°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%