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Aldicarb-sulfoxide - analytical standard, high purity , CAS No.1646-87-3
Basic Description
Synonyms
2H-1-Benzopyran-2-one, 4-methyl-7-(b-D-xylopyranosyloxy)- | Temik sulfoxide | UNII-7XX24C9Y7X | BRN 1962013 | [(E)-(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate | NCGC00090719-01 | 1ST20273 | J35.502J | NCGC00090719-03 | (1E)-2-methyl-2-(
Specifications & Purity
analytical standard
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.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Oxime carbamates
Intermediate Tree Nodes
Not available
Direct Parent
Oxime carbamates
Alternative Parents
Sulfoxides Organic carbonic acids and derivatives Aldoximes Sulfinyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Oxime carbamate - Sulfoxide - Aldoxime - Carbonic acid derivative - Sulfinyl compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as oxime carbamates. These are oxime ether derivatives with the general formula CC(R)=NOC(=O)N(R')R\", where R-R\" = H or organyl.
External Descriptors
Not available
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)
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
[(E)-(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate
INCHI
InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
InChIKey
BXPMAGSOWXBZHS-WEVVVXLNSA-N
Smiles
CC(C)(C=NOC(=O)NC)S(=O)C
Isomeric SMILES
CC(C)(/C=N/OC(=O)NC)S(=O)C
WGK Germany
3
RTECS
UE2075000
Molecular Weight
206.26
Beilstein
2212914
Reaxy-Rn
1962013
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1962013&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
206.270 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
206.073 Da
Monoisotopic Mass
206.073 Da
Topological Polar Surface Area
87.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
238.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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