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[2,2'-Bithiophene]-5-Carbonylchloride - ≧95%, high purity , CAS No.135887-26-2
Basic Description
Synonyms
135887-26-2 | 2,2'-Bithiophene-5-Carbonyl Chloride | 5-thiophen-2-ylthiophene-2-carbonyl chloride | [2,2'-Bithiophene]-5-carbonylchloride | [2,2'-Bithiophene]-5-carbonyl chloride | C9H5ClOS2 | SCHEMBL3054745 | DTXSID70380063 | MFCD02681915 | AKOS015912156 | FT-0609196 | 2,2/'-
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Bi- and oligothiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Bi- and oligothiophenes
Alternative Parents
Thiophene carboxylic acids and derivatives 2,5-disubstituted thiophenes Heteroaromatic compounds Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bithiophene - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
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
5-thiophen-2-ylthiophene-2-carbonyl chloride
INCHI
InChI=1S/C9H5ClOS2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H
InChIKey
HTMFYRRRQQYPCA-UHFFFAOYSA-N
Smiles
C1=CSC(=C1)C2=CC=C(S2)C(=O)Cl
Isomeric SMILES
C1=CSC(=C1)C2=CC=C(S2)C(=O)Cl
Molecular Weight
228.72
Reaxy-Rn
4863670
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4863670&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Molecular Weight
228.700 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
227.947 Da
Monoisotopic Mass
227.947 Da
Topological Polar Surface Area
73.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
210.000
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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