thieno[2,3-b]pyridin-5-amine

• ChemBase ID: 69078
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c12c(cc(cn1)N)ccs2
• Canonical SMILES: Nc1cnc2c(c1)ccs2
• InChI: InChI=1S/C7H6N2S/c8-6-3-5-1-2-10-7(5)9-4-6/h1-4H,8H2
• InChIKey: FGEKBRVMNZKCOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyridin-5-amine
• IUPAC Traditional name: thieno[2,3-b]pyridin-5-amine
• Synonyms: Thieno[2,3-b]pyridin-5-amine

Database IDs

• CAS Number: 21344-28-5
• MDL Number: MFCD14706798
• PubChem SID: 162034807
• PubChem CID: 21817751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1693053
• LogD (pH = 7.4): 1.1701238
• Log P: 1.1701343
• Molar Refractivity: 41.8942 cm^3
• Polarizability: 16.062769 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%