1-{thieno[3,2-b]thiophene-2-carbonyl}piperazine hydrochloride

• ChemBase ID: 238610
• Molecular Formular: C11H13ClN2OS2
• Molecular Mass: 288.81672
• Monoisotopic Mass: 288.01578273
• SMILES: c1(sc2c(c1)scc2)C(=O)N1CCNCC1.Cl
• Canonical SMILES: O=C(c1sc2c(c1)scc2)N1CCNCC1.Cl
• InChI: InChI=1S/C11H12N2OS2.ClH/c14-11(13-4-2-12-3-5-13)10-7-9-8(16-10)1-6-15-9;/h1,6-7,12H,2-5H2;1H
• InChIKey: DFKJHXHFZCTSRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{thieno[3,2-b]thiophene-2-carbonyl}piperazine hydrochloride
• IUPAC Traditional name: 1-{thieno[3,2-b]thiophene-2-carbonyl}piperazine hydrochloride
• Synonyms: 1-({thieno[3,2-b]thiophen-2-yl}carbonyl)piperazine hydrochloride

Database IDs

• MDL Number: MFCD22375422
• PubChem SID: 164294520
• PubChem CID: 71756201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64365405
• LogD (pH = 7.4): 1.0702296
• Log P: 1.6303221
• Molar Refractivity: 65.6993 cm^3
• Polarizability: 26.1838 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.822

Product Information

• Purity: 95%