2-(prop-2-en-1-ylsulfanyl)ethan-1-amine hydrochloride

• ChemBase ID: 265341
• Molecular Formular: C5H12ClNS
• Molecular Mass: 153.67348
• Monoisotopic Mass: 153.03789807
• SMILES: C(=C)CSCCN.Cl
• Canonical SMILES: NCCSCC=C.Cl
• InChI: InChI=1S/C5H11NS.ClH/c1-2-4-7-5-3-6;/h2H,1,3-6H2;1H
• InChIKey: RHADQXRAYRUCIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(prop-2-en-1-ylsulfanyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(prop-2-en-1-ylsulfanyl)ethanamine hydrochloride
• Synonyms: 2-(prop-2-en-1-ylsulfanyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD03161183
• PubChem SID: 164321251
• PubChem CID: 47002380

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2107503
• LogD (pH = 7.4): -1.4420607
• Log P: 0.79438215
• Molar Refractivity: 36.2566 cm^3
• Polarizability: 14.307416 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.864

Product Information

• Purity: 95%