1,1-dioxo-1λ6,4-thiomorpholine-4-sulfonyl chloride

• ChemBase ID: 270620
• Molecular Formular: C4H8ClNO4S2
• Molecular Mass: 233.69362
• Monoisotopic Mass: 232.95832742
• SMILES: S1(=O)(=O)CCN(S(=O)(=O)Cl)CC1
• Canonical SMILES: O=S1(=O)CCN(CC1)S(=O)(=O)Cl
• InChI: InChI=1S/C4H8ClNO4S2/c5-12(9,10)6-1-3-11(7,8)4-2-6/h1-4H2
• InChIKey: FUWMAUBXFITUEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dioxo-1λ^6,4-thiomorpholine-4-sulfonyl chloride
• IUPAC Traditional name: 1,1-dioxo-1λ^6,4-thiomorpholine-4-sulfonyl chloride
• Synonyms: 1,1-dioxo-1$l^{6},4-thiomorpholine-4-sulfonyl chloride

Database IDs

• MDL Number: MFCD12142585
• PubChem SID: 164326530
• PubChem CID: 43581407

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5433227
• LogD (pH = 7.4): -1.5433227
• Log P: -1.5433227
• Molar Refractivity: 44.2731 cm^3
• Polarizability: 19.102594 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): -1.357

Product Information

• Purity: 95%