4-(morpholin-4-yldisulfanyl)morpholine

• ChemBase ID: 110362
• Molecular Formular: C8H16N2O2S2
• Molecular Mass: 236.35484
• Monoisotopic Mass: 236.06531976
• SMILES: C1CN(CCO1)SSN1CCOCC1
• Canonical SMILES: O1CCN(CC1)SSN1CCOCC1
• InChI: InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
• InChIKey: HLBZWYXLQJQBKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yldisulfanyl)morpholine
• IUPAC Traditional name: morpholine, 4,4'-dithiobis-
• Synonyms: 4,4'-DITHIODIMORPHOLINE

Database IDs

• CAS Number: 103-34-4
• EC Number: 203-103-0
• PubChem SID: 162095868
• PubChem CID: 7648

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.04952218
• LogD (pH = 7.4): 0.049545836
• Log P: 0.049546137
• Molar Refractivity: 57.4474 cm^3
• Polarizability: 24.603645 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124°C

Safety Information

• RTECS: QE3325000

DETAILS

MP Biomedicals - 05214685

MP Biomedicals Rare Chemical collection