4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]morpholine

• ChemBase ID: 254538
• Molecular Formular: C7H9ClN2O3S2
• Molecular Mass: 268.74096
• Monoisotopic Mass: 267.97431184
• SMILES: S(=O)(=O)(c1sc(nc1)Cl)N1CCOCC1
• Canonical SMILES: Clc1ncc(s1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C7H9ClN2O3S2/c8-7-9-5-6(14-7)15(11,12)10-1-3-13-4-2-10/h5H,1-4H2
• InChIKey: OIQRCTCSXGNYAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]morpholine
• IUPAC Traditional name: 4-(2-chloro-1,3-thiazol-5-ylsulfonyl)morpholine
• Synonyms: 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]morpholine

Database IDs

• MDL Number: MFCD09863302
• PubChem SID: 164310448
• PubChem CID: 25524462

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5469313
• LogD (pH = 7.4): 0.5469313
• Log P: 0.5469313
• Molar Refractivity: 56.478 cm^3
• Polarizability: 23.021881 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.476

Product Information

• Purity: 95%