4-(1,3-thiazolidin-2-yl)pyridine

• ChemBase ID: 44513
• Molecular Formular: C8H10N2S
• Molecular Mass: 166.2434
• Monoisotopic Mass: 166.05646933
• SMILES: C1(NCCS1)c1ccncc1
• Canonical SMILES: C1CSC(N1)c1ccncc1
• InChI: InChI=1S/C8H10N2S/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-4,8,10H,5-6H2
• InChIKey: BLOGGAJNIGIFFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-thiazolidin-2-yl)pyridine
• IUPAC Traditional name: 4-(1,3-thiazolidin-2-yl)pyridine
• Synonyms: 4-(1,3-Thiazolan-2-yl)pyridine

Database IDs

• CAS Number: 700-92-5
• MDL Number: MFCD01681087
• PubChem SID: 162049276
• PubChem CID: 120768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2346233
• LogD (pH = 7.4): 0.43799508
• Log P: 0.8726056
• Molar Refractivity: 47.2846 cm^3
• Polarizability: 18.818037 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 83 °C; 82-83°C

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%