2-methyl-1,2-thiazolidin-3-one hydrochloride

• ChemBase ID: 105253
• Molecular Formular: C4H8ClNOS
• Molecular Mass: 153.63042
• Monoisotopic Mass: 153.00151256
• SMILES: Cl.CN1SCCC1=O
• Canonical SMILES: O=C1CCSN1C.Cl
• InChI: InChI=1S/C4H7NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H2,1H3;1H
• InChIKey: WQBZYABCGAIWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2-thiazolidin-3-one hydrochloride
• IUPAC Traditional name: 2-methyl-1,2-thiazolidin-3-one hydrochloride
• Synonyms: MIT; 2-METHYLISOTHIAZOLONE HYDROCHLORIDE

Database IDs

• CAS Number: 26172-54-3
• EC Number: 247-499-3
• PubChem SID: 162092072
• PubChem CID: 44134825

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0014525746
• LogD (pH = 7.4): 0.0014525746
• Log P: 0.0014525746
• Molar Refractivity: 30.2487 cm^3
• Polarizability: 11.666746 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~ 175°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34-43
• Safety Statements: S:26-36/37/39-45

Product Information

• Purity: >99%

DETAILS

MP Biomedicals - 02159522

Broad spectrum antibiotic similar in function and performance as bromonitrodioxane against gram-positive and gram-negative bacteria as well as yeast and fungi.
Hydrochloride
Purity: >99%