4-(1,3-thiazolidine-4-carbonyl)morpholine hydrochloride

• ChemBase ID: 255511
• Molecular Formular: C8H15ClN2O2S
• Molecular Mass: 238.7349
• Monoisotopic Mass: 238.05427641
• SMILES: C(=O)(N1CCOCC1)C1NCSC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)C1CSCN1.Cl
• InChI: InChI=1S/C8H14N2O2S.ClH/c11-8(7-5-13-6-9-7)10-1-3-12-4-2-10;/h7,9H,1-6H2;1H
• InChIKey: UJDBIPXDVKCFGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-thiazolidine-4-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(1,3-thiazolidine-4-carbonyl)morpholine hydrochloride
• Synonyms: 4-(1,3-thiazolidin-4-ylcarbonyl)morpholine hydrochloride

Database IDs

• MDL Number: MFCD09971611
• PubChem SID: 164311421
• PubChem CID: 42947816

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.490356
• LogD (pH = 7.4): -1.0188206
• Log P: -0.8148285
• Molar Refractivity: 51.5142 cm^3
• Polarizability: 20.537674 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.08

Product Information

• Purity: 95%