3-(methylsulfanyl)cyclopentan-1-amine

• ChemBase ID: 283353
• Molecular Formular: C6H13NS
• Molecular Mass: 131.23912
• Monoisotopic Mass: 131.07687042
• SMILES: C1C(SC)CCC1N
• Canonical SMILES: CSC1CCC(C1)N
• InChI: InChI=1S/C6H13NS/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3
• InChIKey: FBFYUFDIAMDPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylsulfanyl)cyclopentan-1-amine
• IUPAC Traditional name: 3-(methylsulfanyl)cyclopentan-1-amine
• Synonyms: 3-(methylsulfanyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD20403219
• PubChem SID: 180668884
• PubChem CID: 54595735

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2232058
• LogD (pH = 7.4): -1.9220885
• Log P: 0.8043311
• Molar Refractivity: 38.6867 cm^3
• Polarizability: 15.648499 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.793

Product Information

• Purity: 95%