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

• ChemBase ID: 24598
• Molecular Formular: C7H10ClNS
• Molecular Mass: 175.679
• Monoisotopic Mass: 175.02224801
• SMILES: c12c(scc1)CCNC2.Cl
• Canonical SMILES: C1NCc2c(C1)scc2.Cl
• InChI: InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H
• InChIKey: QMXCTKPNQFJZGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
• IUPAC Traditional name: 4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
• Synonyms: 4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride; 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride; 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride; 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine Hydrochloride; 6,7-Dihydro-4H-thieno[3,2-c]pyridine Hydrochloride; 4,5,6,7-四氢二噻吩基[3,2-c]盐酸吡啶

Database IDs

• CAS Number: 28783-41-7
• EC Number: 249-220-0
• MDL Number: MFCD05861485; MFCD03839944
• PubChem SID: 160987905
• PubChem CID: 10176342

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5605778
• LogD (pH = 7.4): -0.0999507
• Log P: 1.4843645
• Molar Refractivity: 39.6159 cm^3
• Polarizability: 15.212792 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dimethyl Sulfoxide; Methanol; Water
• Apperance: Off-White Solid
• Melting Point: 215-217°C; 220 - 222 °C; 222-224°C; 226 - 228°C
• Hydrophobicity(logP): 1.241

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%; 96%; 97%
• Salt Data: HCl

DETAILS

Toronto Research Chemicals - T295750

An intemediate of Clopidogrel and Prasugrel.

REFERENCES

• Yadav, G., et al.: Biochem. Eng. J., 19, 101(2004)
• Wang, P., et al.: Enzyme Microb. Technol., 39, 930 (2004)