4-chloro-2-methylthieno[3,2-c]pyridine

• ChemBase ID: 64642
• Molecular Formular: C8H6ClNS
• Molecular Mass: 183.65794
• Monoisotopic Mass: 182.99094788
• SMILES: c1cnc(c2c1sc(c2)C)Cl
• Canonical SMILES: Cc1sc2c(c1)c(Cl)ncc2
• InChI: InChI=1S/C8H6ClNS/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
• InChIKey: JMWVYCBWLOCZAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylthieno[3,2-c]pyridine
• IUPAC Traditional name: 4-chloro-2-methylthieno[3,2-c]pyridine
• Synonyms: 4-Chloro-2-methylthieno[3,2-c]pyridine

Database IDs

• CAS Number: 59207-24-8
• MDL Number: MFCD09878707
• PubChem SID: 162030381
• PubChem CID: 18176372

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1016793
• LogD (pH = 7.4): 3.1016808
• Log P: 3.1016808
• Molar Refractivity: 48.1636 cm^3
• Polarizability: 19.294853 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%