methyl[2-(methylsulfanyl)ethyl]amine

• ChemBase ID: 309068
• Molecular Formular: C4H11NS
• Molecular Mass: 105.20184
• Monoisotopic Mass: 105.06122036
• SMILES: N(CCSC)C
• Canonical SMILES: CNCCSC
• InChI: InChI=1S/C4H11NS/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
• InChIKey: RBEQDVAYBZLKRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(methylsulfanyl)ethyl]amine
• IUPAC Traditional name: methyl[2-(methylsulfanyl)ethyl]amine
• Synonyms: N-methyl-2-(methylthio)ethanamine

Database IDs

• CAS Number: 21485-78-9
• MDL Number: MFCD03005217

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6142159
• LogD (pH = 7.4): -1.8407689
• Log P: 0.59949064
• Molar Refractivity: 31.8193 cm^3
• Polarizability: 12.693544 Å^3
• Polar Surface Area: 12.03 Å^2