thiolan-3-amine hydrochloride

• ChemBase ID: 283932
• Molecular Formular: C4H10ClNS
• Molecular Mass: 139.6469
• Monoisotopic Mass: 139.02224801
• SMILES: S1CCC(N)C1.Cl
• Canonical SMILES: NC1CSCC1.Cl
• InChI: InChI=1S/C4H9NS.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H
• InChIKey: GYVSFOHSVVNCKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiolan-3-amine hydrochloride
• IUPAC Traditional name: thiolan-3-amine hydrochloride
• Synonyms: thiolan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD16619115
• PubChem SID: 180669463
• PubChem CID: 522917

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0068383
• LogD (pH = 7.4): -2.4449942
• Log P: 0.01133417
• Molar Refractivity: 29.6605 cm^3
• Polarizability: 11.959144 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): -0.026

Product Information

• Purity: 95%