2-(morpholin-4-yl)ethane-1-sulfonyl chloride

• ChemBase ID: 814266
• Molecular Formular: C6H12ClNO3S
• Molecular Mass: 213.68238
• Monoisotopic Mass: 213.02264193
• SMILES: C(CN1CCOCC1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)CCN1CCOCC1
• InChI: InChI=1S/C6H12ClNO3S/c7-12(9,10)6-3-8-1-4-11-5-2-8/h1-6H2
• InChIKey: RUUFMPJNYPOJHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(morpholin-4-yl)ethanesulfonyl chloride
• Synonyms: 2-morpholinoethanesulfonyl chloride

Database IDs

• CAS Number: 103654-84-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2520171
• LogD (pH = 7.4): -0.24276324
• Log P: -0.24264397
• Molar Refractivity: 47.3206 cm^3
• Polarizability: 19.481789 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%