Butyryl thiocholine

CAS Registry Number®

4555-00-4

CAS Name

Butyryl thiocholine

Molecular Formula

C9H20NOS

Cite this Page

Butyryl thiocholine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4555-00-4 (retrieved 2024-11-22) (CAS RN: 4555-00-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=AWBGQVBMGBZGLS-UHFFFAOYSA-N

SMILES

C([N+](C)(C)C)CSC(CCC)=O

Canonical SMILES

O=C(SCC[N+](C)(C)C)CCC

Other Names for this Substance

  • Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-
  • Ammonium, (2-mercaptoethyl)trimethyl-, butyrate (ester)
  • Butyric acid, thio-, S-ester with (2-mercaptoethyl)trimethylammonium
  • N,N,N-Trimethyl-2-[(1-oxobutyl)thio]ethanaminium
  • Butyryl thiocholine