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5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine - 97%, high purity , CAS No.828-81-9
Basic Description
Synonyms
828-81-9 | 5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine | 5-(2-Chloro-phenyl)-[1,3,4]thiadiazol-2-ylamine | 2-amino-5-(2-chlorophenyl)-1,3,4-thiadiazole | 1,3,4-Thiadiazol-2-amine, 5-(2-chlorophenyl)- | MFCD00548482 | 5-(2-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine | 3,4
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
2-amino-5-substituted-1,3,4-thiadiazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl halide - Thiadiazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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)
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
5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine
INCHI
InChI=1S/C8H6ClN3S/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
JKSGNHRIXMYPIO-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C2=NN=C(S2)N)Cl
Isomeric SMILES
C1=CC=C(C(=C1)C2=NN=C(S2)N)Cl
Molecular Weight
211.7
Reaxy-Rn
164798
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164798&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
211.670 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
210.997 Da
Monoisotopic Mass
210.997 Da
Topological Polar Surface Area
80.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
181.000
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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