(E)-N-methylthiophene-2-carbonimidoyl chloride

• ChemBase ID: 250349
• Molecular Formular: C6H6ClNS
• Molecular Mass: 159.63654
• Monoisotopic Mass: 158.99094788
• SMILES: c1(/C(=N\C)/Cl)sccc1
• Canonical SMILES: C/N=C(\c1cccs1)/Cl
• InChI: InChI=1S/C6H6ClNS/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3/b8-6+
• InChIKey: XGCAAJUHUDYVDJ-SOFGYWHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-methylthiophene-2-carbonimidoyl chloride
• IUPAC Traditional name: (E)-N-methylthiophene-2-carbonimidoyl chloride
• Synonyms: N-methylthiophene-2-carboximidoyl chloride

Database IDs

• MDL Number: MFCD07345651
• PubChem SID: 164306259
• PubChem CID: 7130958

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3121088
• LogD (pH = 7.4): 2.3133614
• Log P: 2.3133774
• Molar Refractivity: 41.0164 cm^3
• Polarizability: 15.265266 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.397

Product Information

• Purity: 95%