2,6-dimethylthiomorpholine hydrochloride

• ChemBase ID: 274439
• Molecular Formular: C6H14ClNS
• Molecular Mass: 167.70006
• Monoisotopic Mass: 167.05354813
• SMILES: S1C(CNCC1C)C.Cl
• Canonical SMILES: CC1CNCC(S1)C.Cl
• InChI: InChI=1S/C6H13NS.ClH/c1-5-3-7-4-6(2)8-5;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: ZABIWTBZIYPWMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylthiomorpholine hydrochloride
• IUPAC Traditional name: 2,6-dimethylthiomorpholine hydrochloride
• Synonyms: 2,6-dimethylthiomorpholine hydrochloride

Database IDs

• MDL Number: MFCD18838813
• PubChem SID: 164330349
• PubChem CID: 54593167

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.238214
• LogD (pH = 7.4): -1.233057
• Log P: 0.9497819
• Molar Refractivity: 38.8355 cm^3
• Polarizability: 15.6513815 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%