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7-Chlorothieno[3,2-d]pyrimidine - 98%, high purity , CAS No.31492-65-6
Basic Description
Synonyms
7-Chlorothieno[3,2-d]pyrimidine | 31492-65-6 | SCHEMBL4302108 | DTXSID20660105 | MFCD02259408 | AKOS006228472 | DS-5870 | 7-Chlorothieno[3,2-d]pyrimidine 97% | CS-0088154 | C74618 | A875891
Specifications & Purity
≥98%
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
Pyrimidines and pyrimidine derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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
7-chlorothieno[3,2-d]pyrimidine
INCHI
InChI=1S/C6H3ClN2S/c7-4-2-10-5-1-8-3-9-6(4)5/h1-3H
InChIKey
AFGLXVCTXPSKTG-UHFFFAOYSA-N
Smiles
C1=C2C(=NC=N1)C(=CS2)Cl
Isomeric SMILES
C1=C2C(=NC=N1)C(=CS2)Cl
Molecular Weight
170.62
Reaxy-Rn
972820
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972820&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
170.620 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
169.971 Da
Monoisotopic Mass
169.971 Da
Topological Polar Surface Area
54.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
133.000
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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