2-(ethylsulfanyl)cyclopentan-1-amine

• ChemBase ID: 286206
• Molecular Formular: C7H15NS
• Molecular Mass: 145.2657
• Monoisotopic Mass: 145.09252049
• SMILES: C1(C(N)CCC1)SCC
• Canonical SMILES: CCSC1CCCC1N
• InChI: InChI=1S/C7H15NS/c1-2-9-7-5-3-4-6(7)8/h6-7H,2-5,8H2,1H3
• InChIKey: LRRNYPQOJVXHFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20372927
• PubChem SID: 180671737
• PubChem CID: 54049186

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6567863
• LogD (pH = 7.4): -1.1532518
• Log P: 1.3640163
• Molar Refractivity: 43.2971 cm^3
• Polarizability: 17.4956 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.462

Product Information

• Purity: 95%