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

• ChemBase ID: 65152
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c1ccc2scc(c2n1)N
• Canonical SMILES: Nc1csc2c1nccc2
• InChI: InChI=1S/C7H6N2S/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H,8H2
• InChIKey: QNILVEIBHSZAQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 120208-33-5
• MDL Number: MFCD11109671
• PubChem SID: 162030891
• PubChem CID: 20244419

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1883786
• LogD (pH = 7.4): 1.1885208
• Log P: 1.1885226
• Molar Refractivity: 41.5696 cm^3
• Polarizability: 16.719612 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 96%