(4-chlorothiophen-2-yl)methanamine

• ChemBase ID: 801256
• Molecular Formular: C5H6ClNS
• Molecular Mass: 147.62584
• Monoisotopic Mass: 146.99094788
• SMILES: C(N)c1scc(c1)Cl
• Canonical SMILES: NCc1cc(cs1)Cl
• InChI: InChI=1S/C5H6ClNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
• InChIKey: UDLPZWJCNIRBJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorothiophen-2-yl)methanamine
• IUPAC Traditional name: (4-chlorothiophen-2-yl)methanamine
• Synonyms: (4-CHLOROTHIOPHEN-2-YL)METHANAMINE

Database IDs

• CAS Number: 214759-19-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2165632
• LogD (pH = 7.4): 0.24300025
• Log P: 1.6159403
• Molar Refractivity: 36.2261 cm^3
• Polarizability: 14.254338 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%