2-propyl-1,3-thiazolidine hydrochloride

• ChemBase ID: 275501
• Molecular Formular: C6H14ClNS
• Molecular Mass: 167.70006
• Monoisotopic Mass: 167.05354813
• SMILES: N1C(SCC1)CCC.Cl
• Canonical SMILES: CCCC1NCCS1.Cl
• InChI: InChI=1S/C6H13NS.ClH/c1-2-3-6-7-4-5-8-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: GTBQBXIIEBYCGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propyl-1,3-thiazolidine hydrochloride
• IUPAC Traditional name: 2-propyl-1,3-thiazolidine hydrochloride
• Synonyms: 2-propyl-1,3-thiazolidine hydrochloride

Database IDs

• MDL Number: MFCD18917375
• PubChem SID: 164331411
• PubChem CID: 54593706

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5228806
• LogD (pH = 7.4): 0.019849919
• Log P: 1.4610025
• Molar Refractivity: 38.8129 cm^3
• Polarizability: 15.655072 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.794

Product Information

• Purity: 95%