2,2-dimethyl-1,3-thiazolidine

• ChemBase ID: 68641
• Molecular Formular: C5H11NS
• Molecular Mass: 117.21254
• Monoisotopic Mass: 117.06122036
• SMILES: S1C(NCC1)(C)C
• Canonical SMILES: CC1(C)NCCS1
• InChI: InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
• InChIKey: SNPQRYOQWLOTFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-1,3-thiazolidine
• IUPAC Traditional name: 2,2-dimethylthiazolidine
• Synonyms: 2,2-Dimethyltetrahydrothiazole

Database IDs

• CAS Number: 19351-18-9
• MDL Number: MFCD00014488
• PubChem SID: 162034371
• PubChem CID: 88015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2600808
• LogD (pH = 7.4): -0.6966846
• Log P: 0.70432836
• Molar Refractivity: 34.6715 cm^3
• Polarizability: 13.8107395 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%