(NZ)-N-[(methylsulfanyl)(morpholin-4-yl)methylidene]aniline

• ChemBase ID: 259168
• Molecular Formular: C12H16N2OS
• Molecular Mass: 236.33324
• Monoisotopic Mass: 236.09833414
• SMILES: C(=N\c1ccccc1)(/N1CCOCC1)\SC
• Canonical SMILES: CS/C(=N\c1ccccc1)/N1CCOCC1
• InChI: InChI=1S/C12H16N2OS/c1-16-12(14-7-9-15-10-8-14)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/b13-12-
• InChIKey: NONWBUYFHIKLKD-SEYXRHQNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (NZ)-N-[(methylsulfanyl)(morpholin-4-yl)methylidene]aniline
• IUPAC Traditional name: (NZ)-N-[(methylsulfanyl)(morpholin-4-yl)methylidene]aniline
• Synonyms: (Z)-N-[(methylsulfanyl)(morpholin-4-yl)methylidene]aniline

Database IDs

• MDL Number: MFCD11857965
• PubChem SID: 164315078
• PubChem CID: 39870994

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3248837
• LogD (pH = 7.4): 2.773185
• Log P: 2.7836425
• Molar Refractivity: 70.3967 cm^3
• Polarizability: 26.267612 Å^3
• Polar Surface Area: 24.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.533

Product Information

• Purity: 95%