(Z)-N-cyclopropylthiophene-2-carbonimidoyl chloride

• ChemBase ID: 250388
• Molecular Formular: C8H8ClNS
• Molecular Mass: 185.67382
• Monoisotopic Mass: 185.00659794
• SMILES: C(=N\C1CC1)(/c1sccc1)\Cl
• Canonical SMILES: Cl/C(=N\C1CC1)/c1cccs1
• InChI: InChI=1S/C8H8ClNS/c9-8(10-6-3-4-6)7-2-1-5-11-7/h1-2,5-6H,3-4H2/b10-8-
• InChIKey: OTDDOCSWRCZQEK-NTMALXAHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-cyclopropylthiophene-2-carbonimidoyl chloride
• IUPAC Traditional name: (Z)-N-cyclopropylthiophene-2-carbonimidoyl chloride
• Synonyms: N-cyclopropylthiophene-2-carboximidoyl chloride

Database IDs

• MDL Number: MFCD07366398
• PubChem SID: 164306298
• PubChem CID: 7131026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.778692
• LogD (pH = 7.4): 2.7789388
• Log P: 2.7789419
• Molar Refractivity: 48.2276 cm^3
• Polarizability: 18.211075 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 - 227°C
• Hydrophobicity(logP): 2.751

Product Information

• Purity: 95%