methanesulfonamide

• ChemBase ID: 8571
• Molecular Formular: CH5NO2S
• Molecular Mass: 95.1209
• Monoisotopic Mass: 95.00409941
• SMILES: S(=O)(=O)(N)C
• Canonical SMILES: CS(=O)(=O)N
• InChI: InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
• InChIKey: HNQIVZYLYMDVSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanesulfonamide
• IUPAC Traditional name: methanesulfonamide
• Synonyms: Methanesulfonamide; Methylsulfonamide; Methylsulfonamide; Methanesulphonamide 97%; Methanesulfonamide; 甲磺酰胺; 甲烷磺酰胺

Database IDs

• CAS Number: 3144-09-0
• EC Number: 221-553-6
• MDL Number: MFCD00007940
• Beilstein Number: 1740835
• PubChem SID: 160971878; 24883221
• PubChem CID: 72879

CALCULATED PROPERTIES

• Acid pKa: 13.107944
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5352495
• LogD (pH = 7.4): -1.5352503
• Log P: -1.5352495
• Molar Refractivity: 18.0669 cm^3
• Polarizability: 8.02562 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-89 °C(lit.); 85-89°C; 87-93°C; 91-93°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (CHN); 95+%; 97%; 98%; 98+%
• Linear Formula: CH3SO2NH2

DETAILS

Sigma Aldrich - 471534

Legal Information
Product of Arkema Inc.

Sigma Aldrich - 64275

Packaging
10, 50 g in glass bottle