Propionylthiocholine iodide - CAS 1866-73-5
Catalog: |
BB014364 |
Product Name: |
Propionylthiocholine iodide |
CAS: |
1866-73-5 |
Synonyms: |
trimethyl(2-propanoylsulfanylethyl)azanium;iodide |
IUPAC Name: | trimethyl(2-propanoylsulfanylethyl)azanium;iodide |
Description: | Propionylthiocholine iodide (CAS# 1866-73-5 ) is a useful research chemical. |
Molecular Weight: | 303.20 |
Molecular Formula: | C8H18INOS |
Canonical SMILES: | CCC(=O)SCC[N+](C)(C)C.[I-] |
InChI: | InChI=1S/C8H18NOS.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1 |
InChI Key: | BJQIXLJDWWVGAE-UHFFFAOYSA-M |
Appearance: | Solid |
MDL: | MFCD00011839 |
LogP: | -1.63360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22192836 | 20120620 | A Pseudomonas aeruginosa PAO1 acetylcholinesterase is encoded by the PA4921 gene and belongs to the SGNH hydrolase family | Microbiological research |
22241547 | 20120501 | Bivalve esterases as biomarker: identification and characterization in European cockles (Cerastoderma edule) | Bulletin of environmental contamination and toxicology |
22470503 | 20120101 | Characterization of cholinesterases in plasma of three Portuguese native bird species: application to biomonitoring | PloS one |
20146377 | 20100101 | Heterologous expression, purification, and biochemical characterization of a greenbug (Schizaphis graminum) acetylcholinesterase encoded by a paralogous gene (ace-1) | Journal of biochemical and molecular toxicology |
17998142 | 20080301 | Cholinesterase activities as potential biomarkers: characterization in two freshwater snails, Potamopyrgus antipodarum (Mollusca, Hydrobiidae, Smith 1889) and Valvata piscinalis (Mollusca, Valvatidae, Müller 1774) | Chemosphere |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.01538 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.01538 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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