2-(thiophen-2-yl)pyrrolidine

• ChemBase ID: 19072
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c1(sccc1)C1NCCC1
• Canonical SMILES: C1CNC(C1)c1cccs1
• InChI: InChI=1S/C8H11NS/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
• InChIKey: BNUVOMNEUJWHCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)pyrrolidine
• IUPAC Traditional name: 2-(thiophen-2-yl)pyrrolidine
• Synonyms: 2-(2-Thienyl)pyrrolidine; 2-thien-2-ylpyrrolidine; 2-(Thiophen-2-yl)pyrrolidine; 2-(2-Thienyl)pyrrolidine; 2-Thiophen-2-yl-pyrrolidine; 2-(Thien-2-yl)pyrrolidine; 2-(2-噻吩基)吡咯烷

Database IDs

• CAS Number: 90090-64-5
• MDL Number: MFCD00052889
• PubChem SID: 160982379
• PubChem CID: 339554

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3166687
• LogD (pH = 7.4): -0.7469749
• Log P: 1.9100405
• Molar Refractivity: 43.4071 cm^3
• Polarizability: 17.13796 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): 1.58

Safety Information

• Storage Warning: IRRITANT; Irritant; Moisture Sensitive
• 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%; 97%

DETAILS

Toronto Research Chemicals - T344360

2-(2-Thienyl)pyrrolidine is used in the preparation of imidazopyridine derivatives for treating viral infections.

REFERENCES

• Serradeil-Le Gal, C., et al.: J. Pharmacol. Exp. Ther., 300, 1122 (2002)
• Hodgson, R., et al.: Pharmacol. Biochem. Behav., 3, 431 (2002)