Basic information
- CAS
24578-90-3- Standard SMILES
CCC(=O)SCC[N+](C)(C)C- InChIKey
ILWCNQXVCCMVCY-UHFFFAOYSA-N- Molecular formula
- C8H18NOS+
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.11091037
Overview
substrate for cholinesterase; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Propionylthiocholine
- IUPAC
- trimethyl(2-propanoylsulfanylethyl)azanium
- English name
- propionylthiocholine
- Molecular weight
- 0
Names & synonyms
Propionylthiocholine24578-90-3RefChem:930056trimethyl(2-propanoylsulfanylethyl)azaniumEthanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-SCHEMBL1057055ILWCNQXVCCMVCY-UHFFFAOYSA-trimethyl-(2-propanoylsulfanylethyl)azanium iodideN,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminiumInChI=1/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1QFJ2-(Propanoylthio)ethyltrimethylaminium
Show more names
Trimethyl(2-propionylthioethyl)aminium2-(Propionylthio)ethyltrimethylammoniumN,N,N-triMethyl-2-(propionylthio)ethanaMiniuMN,N,N-Trimethyl-2-(1-oxopropylthio)ethanaminium
Database identifiers
- CAS
24578-90-3- PubChem CID
- 74633
- Nikkaji
- J306I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 129
Chemistry & industry
Suppliers1 total
Syntechem Co.,Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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