2-(methylsulfanyl)cyclopentan-1-amine

• ChemBase ID: 283236
• Molecular Formular: C6H13NS
• Molecular Mass: 131.23912
• Monoisotopic Mass: 131.07687042
• SMILES: C1(C(N)CCC1)SC
• Canonical SMILES: CSC1CCCC1N
• InChI: InChI=1S/C6H13NS/c1-8-6-4-2-3-5(6)7/h5-6H,2-4,7H2,1H3
• InChIKey: LYDDFFMJUBFRAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(methylsulfanyl)cyclopentan-1-amine
• Synonyms: 2-(methylsulfanyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD19214737
• PubChem SID: 180668767
• PubChem CID: 4314252

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9099258
• LogD (pH = 7.4): -1.4090087
• Log P: 1.1109864
• Molar Refractivity: 38.4993 cm^3
• Polarizability: 15.649004 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.933

Product Information

• Purity: 95%