[1-(ethylsulfanyl)propan-2-yl](methyl)amine

• ChemBase ID: 285016
• Molecular Formular: C6H15NS
• Molecular Mass: 133.255
• Monoisotopic Mass: 133.09252049
• SMILES: N(C(CSCC)C)C
• Canonical SMILES: CCSCC(NC)C
• InChI: InChI=1S/C6H15NS/c1-4-8-5-6(2)7-3/h6-7H,4-5H2,1-3H3
• InChIKey: SVKJSFSFDNBMQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(ethylsulfanyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: [1-(ethylsulfanyl)propan-2-yl](methyl)amine
• Synonyms: [1-(ethylsulfanyl)propan-2-yl](methyl)amine

Database IDs

• MDL Number: MFCD20093024
• PubChem SID: 180670547
• PubChem CID: 56828073

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9494653
• LogD (pH = 7.4): -1.240693
• Log P: 1.2690957
• Molar Refractivity: 41.0359 cm^3
• Polarizability: 16.386738 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.232

Product Information

• Purity: 95%