4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride

• ChemBase ID: 250319
• Molecular Formular: C8H12ClNS
• Molecular Mass: 189.70558
• Monoisotopic Mass: 189.03789807
• SMILES: c12c(scc1)CCNC2C.Cl
• Canonical SMILES: CC1NCCc2c1ccs2.Cl
• InChI: InChI=1S/C8H11NS.ClH/c1-6-7-3-5-10-8(7)2-4-9-6;/h3,5-6,9H,2,4H2,1H3;1H
• InChIKey: UFHWWJHTDFGPPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
• IUPAC Traditional name: 4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
• Synonyms: 4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride

Database IDs

• CAS Number: 92503-61-2
• MDL Number: MFCD07345588
• PubChem SID: 164306229
• PubChem CID: 16255107

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1717463
• LogD (pH = 7.4): 0.2396437
• Log P: 1.9009396
• Molar Refractivity: 44.0347 cm^3
• Polarizability: 17.054207 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C
• Hydrophobicity(logP): 1.76

Product Information

• Purity: 95%
• Salt Data: HCl