2-methyl-1,3-thiazolidine

• ChemBase ID: 295828
• Molecular Formular: C4H9NS
• Molecular Mass: 103.18596
• Monoisotopic Mass: 103.04557029
• SMILES: CC1NCCS1
• Canonical SMILES: CC1NCCS1
• InChI: InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3
• InChIKey: DQMLFUMEBNHPPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,3-thiazolidine
• IUPAC Traditional name: 2-methyl-1,3-thiazolidine
• Synonyms: 2-Methylthiazolidine; 2-甲基噻唑烷

Database IDs

• CAS Number: 24050-16-6
• MDL Number: MFCD00053110
• PubChem SID: 180681359
• PubChem CID: 32196

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5368207
• LogD (pH = 7.4): -0.930717
• Log P: 0.37956068
• Molar Refractivity: 29.7431 cm^3
• Polarizability: 11.965043 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-78°C/36mm
• Flash Point: 35°C(95°F)
• Refractive Index: 1.5260

Safety Information

• RTECS: XJ6061000
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99%