2-(thiophen-2-yl)azetidine hydrochloride

• ChemBase ID: 178527
• Molecular Formular: C7H10ClNS
• Molecular Mass: 175.679
• Monoisotopic Mass: 175.02224801
• SMILES: C1(c2cccs2)CCN1.Cl
• Canonical SMILES: C1CC(N1)c1cccs1.Cl
• InChI: InChI=1S/C7H9NS.ClH/c1-2-7(9-5-1)6-3-4-8-6;/h1-2,5-6,8H,3-4H2;1H
• InChIKey: IFAVKDVFRFPSNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)azetidine hydrochloride
• IUPAC Traditional name: 2-(thiophen-2-yl)azetidine hydrochloride
• Synonyms: 2-(2-Thienyl)azetidine Hydrochloride

Database IDs

• PubChem SID: 164234437
• PubChem CID: 71752516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7814511
• LogD (pH = 7.4): -0.69281363
• Log P: 1.3926779
• Molar Refractivity: 38.7625 cm^3
• Polarizability: 15.295745 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T344330

A 2-substituted Azetidine (A813000).