morpholine-4-sulfonyl chloride

• ChemBase ID: 19228
• Molecular Formular: C4H8ClNO3S
• Molecular Mass: 185.62922
• Monoisotopic Mass: 184.9913418
• SMILES: S(=O)(=O)(N1CCOCC1)Cl
• Canonical SMILES: ClS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
• InChIKey: KXIBCCFSAMRWIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-sulfonyl chloride
• IUPAC Traditional name: morpholine-4-sulfonyl chloride
• Synonyms: Morpholine-4-sulfonyl chloride; 4-morpholinesulfonyl chloride

Database IDs

• CAS Number: 1828-66-6
• MDL Number: MFCD03249981
• PubChem SID: 160982535
• PubChem CID: 12798265

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.42217997
• LogD (pH = 7.4): -0.42217997
• Log P: -0.42217997
• Molar Refractivity: 37.7458 cm^3
• Polarizability: 15.51569 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.39

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%