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4-(4-Fluorophenyl)-2,5-dimethylthiazole - 98%, high purity , CAS No.675856-63-0
Discover 4-(4-Fluorophenyl)-2,5-dimethylthiazole by Aladdin Scientific in 98% for only $1,906.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(4-Fluorophenyl)-2,5-dimethylthiazole | 675856-63-0 | 4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole | SCHEMBL8188473 | DTXSID50392689 | BS-29382
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4,5-trisubstituted thiazoles
Alternative Parents
Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
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.
Names and Identifiers
IUPAC Name
4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole
INCHI
InChI=1S/C11H10FNS/c1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKey
BYLRJAPIHKXDNV-UHFFFAOYSA-N
Smiles
CC1=C(N=C(S1)C)C2=CC=C(C=C2)F
Isomeric SMILES
CC1=C(N=C(S1)C)C2=CC=C(C=C2)F
Molecular Weight
207.3
Reaxy-Rn
10337892
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10337892&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
207.270 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
207.052 Da
Monoisotopic Mass
207.052 Da
Topological Polar Surface Area
41.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
192.000
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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