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

• ChemBase ID: 276825
• Molecular Formular: C5H13NS
• Molecular Mass: 119.22842
• Monoisotopic Mass: 119.07687042
• SMILES: N(C(CSC)C)C
• Canonical SMILES: CSCC(NC)C
• InChI: InChI=1S/C5H13NS/c1-5(6-2)4-7-3/h5-6H,4H2,1-3H3
• InChIKey: RVNOEJVZMRIUBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16850260
• PubChem SID: 164332735
• PubChem CID: 54594363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2026982
• LogD (pH = 7.4): -1.496869
• Log P: 1.0160657
• Molar Refractivity: 36.2381 cm^3
• Polarizability: 14.539549 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.703

Product Information

• Purity: 95%