methyl thiophene-2-carboximidate hydrochloride

• ChemBase ID: 54337
• Molecular Formular: C6H8ClNOS
• Molecular Mass: 177.65182
• Monoisotopic Mass: 177.00151256
• SMILES: s1c(ccc1)C(=N)OC.Cl
• Canonical SMILES: COC(=N)c1cccs1.Cl
• InChI: InChI=1S/C6H7NOS.ClH/c1-8-6(7)5-3-2-4-9-5;/h2-4,7H,1H3;1H
• InChIKey: OEUWBJFZEJDNAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl thiophene-2-carboximidate hydrochloride
• IUPAC Traditional name: methyl thiophene-2-carboximidate hydrochloride
• Synonyms: Thiophene-2-carboximidic acid methyl ester hydrochloride

Database IDs

• MDL Number: MFCD15142821
• PubChem SID: 162059100
• PubChem CID: 398426

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6289313
• LogD (pH = 7.4): 1.8651768
• Log P: 1.869199
• Molar Refractivity: 47.7141 cm^3
• Polarizability: 14.097603 Å^3
• Polar Surface Area: 33.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%