[(2-aminoethyl)sulfanyl]cyclopentane hydrochloride

• ChemBase ID: 270568
• Molecular Formular: C7H16ClNS
• Molecular Mass: 181.72664
• Monoisotopic Mass: 181.0691982
• SMILES: S(C1CCCC1)CCN.Cl
• Canonical SMILES: NCCSC1CCCC1.Cl
• InChI: InChI=1S/C7H15NS.ClH/c8-5-6-9-7-3-1-2-4-7;/h7H,1-6,8H2;1H
• InChIKey: BBXINZFFRQSHMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-aminoethyl)sulfanyl]cyclopentane hydrochloride
• IUPAC Traditional name: [(2-aminoethyl)sulfanyl]cyclopentane hydrochloride
• Synonyms: [(2-aminoethyl)sulfanyl]cyclopentane hydrochloride

Database IDs

• MDL Number: MFCD17480425
• PubChem SID: 164326478
• PubChem CID: 50988738

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6911321
• LogD (pH = 7.4): -0.923133
• Log P: 1.3140562
• Molar Refractivity: 43.5563 cm^3
• Polarizability: 17.495596 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.562

Product Information

• Purity: 95%