(Z)-N-(thiophene-2-sulfonyl)benzene-1-carbonimidoyl chloride

• ChemBase ID: 229300
• Molecular Formular: C11H8ClNO2S2
• Molecular Mass: 285.76972
• Monoisotopic Mass: 284.96849818
• SMILES: S(=O)(=O)(/N=C(/c1ccccc1)\Cl)c1sccc1
• Canonical SMILES: Cl/C(=N\S(=O)(=O)c1cccs1)/c1ccccc1
• InChI: InChI=1S/C11H8ClNO2S2/c12-11(9-5-2-1-3-6-9)13-17(14,15)10-7-4-8-16-10/h1-8H/b13-11-
• InChIKey: PXABJGXVTJGPEE-QBFSEMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-(thiophene-2-sulfonyl)benzene-1-carbonimidoyl chloride
• IUPAC Traditional name: (Z)-N-(thiophene-2-sulfonyl)benzene-1-carbonimidoyl chloride
• Synonyms: Thiophene-2-sulfonic acid chloro-phenyl-methyleneamide

Database IDs

• MDL Number: MFCD06660483
• PubChem SID: 164285210
• PubChem CID: 9631153

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2693276
• LogD (pH = 7.4): 3.2693276
• Log P: 3.2693276
• Molar Refractivity: 68.6114 cm^3
• Polarizability: 27.20451 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%