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4-chloro-5-fluoro-2-(methylsulfanyl)pyrimidine - 97%, high purity , CAS No.6096-45-3
Discover 4-chloro-5-fluoro-2-(methylsulfanyl)pyrimidine by Aladdin Scientific in 97% for only $3,795.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6096-45-3 | 4-CHLORO-5-FLUORO-2-(METHYLSULFANYL)PYRIMIDINE | 4-chloro-5-fluoro-2-(methylthio)pyrimidine | 4-chloro-5-fluoro-2-methylsulfanylpyrimidine | MFCD14636507 | SCHEMBL5416326 | DTXSID60577162 | UQWYZGXKPJZPLU-UHFFFAOYSA-N | AKOS023798269 | PB19407 | AS-33533 | SY033412
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Halopyrimidines Alkylarylthioethers Aryl fluorides Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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-chloro-5-fluoro-2-methylsulfanylpyrimidine
INCHI
InChI=1S/C5H4ClFN2S/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3
InChIKey
UQWYZGXKPJZPLU-UHFFFAOYSA-N
Smiles
CSC1=NC=C(C(=N1)Cl)F
Isomeric SMILES
CSC1=NC=C(C(=N1)Cl)F
Molecular Weight
178.61
Reaxy-Rn
776735
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=776735&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.620 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
177.977 Da
Monoisotopic Mass
177.977 Da
Topological Polar Surface Area
51.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
116.000
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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