thiolan-2-ylmethanamine

• ChemBase ID: 237368
• Molecular Formular: C5H11NS
• Molecular Mass: 117.21254
• Monoisotopic Mass: 117.06122036
• SMILES: S1C(CN)CCC1
• Canonical SMILES: NCC1CCCS1
• InChI: InChI=1S/C5H11NS/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
• InChIKey: FLHFMMKGHUKQHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiolan-2-ylmethanamine
• IUPAC Traditional name: thiolan-2-ylmethanamine
• Synonyms: thiolan-2-ylmethanamine

Database IDs

• MDL Number: MFCD19667167
• PubChem SID: 164293278
• PubChem CID: 15629560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5059717
• LogD (pH = 7.4): -1.7861936
• Log P: 0.5028726
• Molar Refractivity: 34.2773 cm^3
• Polarizability: 13.804816 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.593

Product Information

• Purity: 95%