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Carbophenothion Standard - 100mg/L in acetone, high purity , CAS No.786-19-6(Acetone)
Basic Description
Synonyms
Stauffer R-1,303 | Carbofenothion | Endyl | NCGC00166170-01 | S-{[(4-chlorophenyl)thio]methyl} O,O-diethyl dithiophosphate | HSDB 958 | NCGC00166170-02 | O,O-Dietil-S-((4-cloro-fenil-tio)-metile)-ditiofosfato | S-(4-chlorophenylthio)methyl O,O-diethyl pho
Specifications & Purity
100mg/L in acetone
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Thiophenol ethers Chlorobenzenes Alkylarylthioethers Dithiophosphate S-esters Dithiophosphate O-esters Aryl chlorides Sulfenyl compounds Organothiophosphorus compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Dithiophosphate s-ester - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Dithiophosphate o-ester - Organic dithiophosphate - Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Organophosphorus insecticides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
INCHI
InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
VEDTXTNSFWUXGQ-UHFFFAOYSA-N
Smiles
CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl
Isomeric SMILES
CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl
WGK Germany
3
RTECS
TD5250000
UN Number
2929
Packing Group
II
Molecular Weight
342.87
Beilstein
1885240
Reaxy-Rn
1885240
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1885240&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
342.900 g/mol
XLogP3
5.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
8
Exact Mass
341.974 Da
Monoisotopic Mass
341.974 Da
Topological Polar Surface Area
101.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
263.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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G2502219