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

• ChemBase ID: 79004
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: s1cc(c2c1cncc2)N
• Canonical SMILES: Nc1csc2c1ccnc2
• InChI: InChI=1S/C7H6N2S/c8-6-4-10-7-3-9-2-1-5(6)7/h1-4H,8H2
• InChIKey: HYLKZQFXAXDCPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63326-75-0
• MDL Number: MFCD09998716
• PubChem SID: 162043767
• PubChem CID: 15342498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.79640454
• LogD (pH = 7.4): 0.80259264
• Log P: 0.8026722
• Molar Refractivity: 41.9416 cm^3
• Polarizability: 16.718029 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant