Butyrylthiocholine iodide

CAS Registry Number®

1866-16-6

CAS Name

Butyrylthiocholine iodide

Molecular Formula

C9H20NOS.I

Cite this Page

Butyrylthiocholine iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1866-16-6 (retrieved 2024-11-25) (CAS RN: 1866-16-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=WEQAAFZDJROSBF-UHFFFAOYSA-M

SMILES

C([N+](C)(C)C)CSC(CCC)=O.[I-]

Canonical SMILES

[I-].O=C(SCC[N+](C)(C)C)CCC

Other Names for this Substance

  • Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1:1)
  • Ammonium, (2-mercaptoethyl)trimethyl-, iodide, butyrate
  • Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide
  • (2-Mercaptoethyl)trimethylammonium iodide, butyrate
  • Butyric acid, thio-, S-ester with (2-mercaptoethyl)trimethylammonium iodide

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