dimethyl[2-(methylsulfanyl)ethyl]amine hydrobromide

• ChemBase ID: 83483
• Molecular Formular: C5H14BrNS
• Molecular Mass: 200.14036
• Monoisotopic Mass: 199.00303245
• SMILES: N(CCSC)(C)C.Br
• Canonical SMILES: CSCCN(C)C.Br
• InChI: InChI=1S/C5H13NS.BrH/c1-6(2)4-5-7-3;/h4-5H2,1-3H3;1H
• InChIKey: FHUUJUJJDLLIRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(methylsulfanyl)ethyl]amine hydrobromide
• IUPAC Traditional name: dimethyl[2-(methylsulfanyl)ethyl]amine hydrobromide
• Synonyms: N,N-dimethyl-N-[2-(methylthio)ethyl]amine hydrobromide

Database IDs

• MDL Number: MFCD00100892
• PubChem SID: 162070601
• PubChem CID: 2780369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2046921
• LogD (pH = 7.4): -0.59897363
• Log P: 0.9825386
• Molar Refractivity: 37.114 cm^3
• Polarizability: 14.539458 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true