1-(ethylsulfanyl)propan-2-amine

• ChemBase ID: 284952
• Molecular Formular: C5H13NS
• Molecular Mass: 119.22842
• Monoisotopic Mass: 119.07687042
• SMILES: S(CC(N)C)CC
• Canonical SMILES: CCSCC(N)C
• InChI: InChI=1S/C5H13NS/c1-3-7-4-5(2)6/h5H,3-4,6H2,1-2H3
• InChIKey: KRVVUNSYQWYLBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethylsulfanyl)propan-2-amine
• IUPAC Traditional name: 1-(ethylsulfanyl)propan-2-amine
• Synonyms: 1-(ethylsulfanyl)propan-2-amine

Database IDs

• MDL Number: MFCD19213746
• PubChem SID: 180670483
• PubChem CID: 12097402

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1803875
• LogD (pH = 7.4): -1.5930935
• Log P: 0.8365153
• Molar Refractivity: 36.2613 cm^3
• Polarizability: 14.540576 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.928

Product Information

• Purity: 95%