2,3-dimethylthiomorpholine

• ChemBase ID: 276726
• Molecular Formular: C6H13NS
• Molecular Mass: 131.23912
• Monoisotopic Mass: 131.07687042
• SMILES: N1C(C(SCC1)C)C
• Canonical SMILES: CC1SCCNC1C
• InChI: InChI=1S/C6H13NS/c1-5-6(2)8-4-3-7-5/h5-7H,3-4H2,1-2H3
• InChIKey: OSKSVESWLSCULX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylthiomorpholine
• IUPAC Traditional name: 2,3-dimethylthiomorpholine
• Synonyms: 2,3-dimethylthiomorpholine

Database IDs

• MDL Number: MFCD19218941
• PubChem SID: 164332636
• PubChem CID: 54594327

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.204968
• LogD (pH = 7.4): -1.15278
• Log P: 0.9756061
• Molar Refractivity: 38.8633 cm^3
• Polarizability: 15.6504545 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%