1-benzothiophene-3-carboximidamide hydrochloride

• ChemBase ID: 101098
• Molecular Formular: C9H9ClN2S
• Molecular Mass: 212.69916
• Monoisotopic Mass: 212.01749698
• SMILES: c1(csc2c1cccc2)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1csc2c1cccc2.Cl
• InChI: InChI=1S/C9H8N2S.ClH/c10-9(11)7-5-12-8-4-2-1-3-6(7)8;/h1-5H,(H3,10,11);1H
• InChIKey: QWISXMSXASGOAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzothiophene-3-carboximidamide hydrochloride
• IUPAC Traditional name: 1-benzothiophene-3-carboximidamide hydrochloride
• Synonyms: 1-benzothiophene-3-carboximidamidine hydrochloride

Database IDs

• CAS Number: 465515-36-0
• MDL Number: MFCD05863725
• PubChem SID: 162086717
• PubChem CID: 2795262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6431525
• LogD (pH = 7.4): -0.47837278
• Log P: 1.769739
• Molar Refractivity: 61.0706 cm^3
• Polarizability: 20.202686 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%