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2,4-dichloro-6-methylthieno[2,3-d]pyrimidine - 97%, high purity , CAS No.76872-23-6
Basic Description
Synonyms
2,4-DICHLORO-6-METHYLTHIENO[2,3-D]PYRIMIDINE | 76872-23-6 | MFCD15144570 | THIENO[2,3-D]PYRIMIDINE, 2,4-DICHLORO-6-METHYL- | SCHEMBL1969445 | BTGNDWIMNVJZJY-UHFFFAOYSA-N | AMY16143 | BDA87223 | AKOS015947893 | PB13648 | AS-33769 | SY097531 | CS-0052158 | FT-0770091 | EN300-176993 | 2,
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
2,3,5-trisubstituted thiophenes 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 2,3,5-trisubstituted thiophene - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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
2,4-dichloro-6-methylthieno[2,3-d]pyrimidine
INCHI
InChI=1S/C7H4Cl2N2S/c1-3-2-4-5(8)10-7(9)11-6(4)12-3/h2H,1H3
InChIKey
BTGNDWIMNVJZJY-UHFFFAOYSA-N
Smiles
CC1=CC2=C(S1)N=C(N=C2Cl)Cl
Isomeric SMILES
CC1=CC2=C(S1)N=C(N=C2Cl)Cl
Molecular Weight
219.08
Reaxy-Rn
4996548
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4996548&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
219.090 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
217.947 Da
Monoisotopic Mass
217.947 Da
Topological Polar Surface Area
54.000 Ų
Heavy Atom Count
12
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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