[1,3]thiazolo[5,4-b]pyridine-2-thiol

• ChemBase ID: 84580
• Molecular Formular: C6H4N2S2
• Molecular Mass: 168.23936
• Monoisotopic Mass: 167.98159014
• SMILES: s1c(nc2cccnc12)S
• Canonical SMILES: Sc1nc2c(s1)nccc2
• InChI: InChI=1S/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
• InChIKey: WITYIAHCBUYCSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]thiazolo[5,4-b]pyridine-2-thiol
• IUPAC Traditional name: [1,3]thiazolo[5,4-b]pyridine-2-thiol
• Synonyms: Pyrido[3,2-d][1,3]thiazole-2-thiol; 2-Mercapto-[1,3]thiazolo[5,4-b]pyridine; 2-Sulphanyl-[1,3]thiazolo[5,4-b]pyridine; [1,3]Thiazolo[5,4-b]pyridine-2-thiol; pyrido[3,2-d][1,3]thiazole-2-thiol

Database IDs

• CAS Number: 57135-09-8
• MDL Number: MFCD00178760
• PubChem SID: 162071696
• PubChem CID: 2782239

CALCULATED PROPERTIES

• Molar Refractivity: 42.4075 cm^3
• Polarizability: 17.13781 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 7.1848965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0321734
• LogD (pH = 7.4): 1.6448725
• Log P: 2.0407186

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Toxic/Keep Cold/Store under Argon

Product Information

• Purity: 95%