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2-(2-{[(4-Chlorophenyl)thio]methyl}-phenoxy)ethanohydrazide - 97%, high purity , CAS No.175202-85-4
Basic Description
Synonyms
175202-85-4 | 2-(2-{[(4-chlorophenyl)thio]methyl}phenoxy)ethanohydrazide | 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetohydrazide | 2-(2-(((4-Chlorophenyl)thio)methyl)phenoxy)acetohydrazide | 2-(2-[[(4-chlorophenyl)thio]methyl]phenoxy)ethanohydrazide | 2-(2-(4
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Thiophenol ethers Phenoxy compounds Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Carboxylic acid hydrazides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Aryl thioether - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid hydrazide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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(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
2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetohydrazide
INCHI
InChI=1S/C15H15ClN2O2S/c16-12-5-7-13(8-6-12)21-10-11-3-1-2-4-14(11)20-9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKey
OZJNLFBIXACHOQ-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)CSC2=CC=C(C=C2)Cl)OCC(=O)NN
Isomeric SMILES
C1=CC=C(C(=C1)CSC2=CC=C(C=C2)Cl)OCC(=O)NN
PubChem CID
2778909
Molecular Weight
322.82
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
322.800 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
322.054 Da
Monoisotopic Mass
322.054 Da
Topological Polar Surface Area
89.700 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
325.000
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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