2,2-dimethylthiomorpholine

• ChemBase ID: 235831
• Molecular Formular: C6H13NS
• Molecular Mass: 131.23912
• Monoisotopic Mass: 131.07687042
• SMILES: S1C(CNCC1)(C)C
• Canonical SMILES: CC1(C)CNCCS1
• InChI: InChI=1S/C6H13NS/c1-6(2)5-7-3-4-8-6/h7H,3-5H2,1-2H3
• InChIKey: FUGFMGKHXKOFDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19221737
• PubChem SID: 164291741
• PubChem CID: 19425061

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3742602
• LogD (pH = 7.4): -1.3694268
• Log P: 0.8137835
• Molar Refractivity: 39.0549 cm^3
• Polarizability: 15.65138 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%