Benzoylthiocholine iodide

• CAS: 10561-14-5
• Catalog Number: ACM10561145
• Category: Other Products
• Molecular Weight: 351.25
• Molecular Formula: C₁₂H₁₈INOS
• Synonyms: ACMC-1BPN4; Benzoylthiocholine Iodide; SCHEMBL2356875; DTXSID60553325; FT-0752717; J-001455; B0307; TR-001170; AKOS015833234
• IUPAC Name: 2-benzoylsulfanylethyl(trimethyl)azanium;iodide
• Canonical SMILES: C[N+](C)(C)CCSC(=O)C1=CC=CC=C1.[I-]
• InChI: InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
• InChI Key: PCGVSJGEHWZOBK-UHFFFAOYSA-M
• Complexity: 204
• Covalently-Bonded Unit Count: 2
• Exact Mass: 351.015g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 16
• Monoisotopic Mass: 351.015g/mol
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 42.4A^2