3,5-dimethylthiomorpholine hydrochloride

• ChemBase ID: 235710
• Molecular Formular: C6H14ClNS
• Molecular Mass: 167.70006
• Monoisotopic Mass: 167.05354813
• SMILES: N1C(CSCC1C)C.Cl
• Canonical SMILES: CC1CSCC(N1)C.Cl
• InChI: InChI=1S/C6H13NS.ClH/c1-5-3-8-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: QRJKHJWKOHNVCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylthiomorpholine hydrochloride
• IUPAC Traditional name: 3,5-dimethylthiomorpholine hydrochloride
• Synonyms: 3,5-dimethylthiomorpholine hydrochloride

Database IDs

• MDL Number: MFCD22196437
• PubChem SID: 164291620
• PubChem CID: 71755569

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1718235
• LogD (pH = 7.4): -1.0785093
• Log P: 1.0014304
• Molar Refractivity: 38.8911 cm^3
• Polarizability: 15.649527 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%