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Carboxine Standard - 1000ug/ml in Acetone, high purity , CAS No.5234-68-4
Basic Description
Synonyms
NCGC00254614-01 | 5-19-07-00251 (Beilstein Handbook Reference) | FT-0602928 | Karboxyn | Vitavax 100 | Vitavax 735D | 1, 5,6-dihydro-2-methyl- | SCHEMBL18392 | Carboxin [ISO] | CARBOXIN [MI] | CHEBI:3405 | 1, 2,3-dihydro-5-carboxanilido-6-methyl- | FS-301
Specifications & Purity
1000ug/ml in Acetone
Storage Temp
Room temperature
Shipped In
Normal
Product Description
Pesticides Single Component Standards
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Anilides
Alternative Parents
N-arylamides Oxathiins Vinylogous esters Thioenol ethers Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anilide - N-arylamide - 1,4-oxathiin - Vinylogous ester - Carboxamide group - Secondary carboxylic acid amide - Thioenolether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
External Descriptors
an amide
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
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
INCHI
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey
GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Smiles
CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
Isomeric SMILES
CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
Molecular Weight
235.3
Reaxy-Rn
983249
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=983249&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
100°C
Melt Point(°C)
93-95°C
Molecular Weight
235.300 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
235.067 Da
Monoisotopic Mass
235.067 Da
Topological Polar Surface Area
63.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
295.000
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
Citations of This Product
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