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2,2-Bithiophene-5,5-diboronic acid - 97%, high purity , CAS No.189358-30-3
Basic Description
Synonyms
189358-30-3 | [2,2'-Bithiophene]-5,5'-diyldiboronic acid | 2,2'-BITHIOPHENE-5,5'-DIBORONIC ACID | [5-(5-boronothiophen-2-yl)thiophen-2-yl]boronic acid | 2,2/'-BITHIOPHENE-5,5/'-DIBORONIC ACID | SCHEMBL3479599 | YSZC1982 | DTXSID90674774 | MFCD11504864 | AKOS015856714 | BS-22
Specifications & Purity
≥97%
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
2,5-disubstituted thiophenes Heteroaromatic compounds Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bithiophene - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - 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-(5-boronothiophen-2-yl)thiophen-2-yl]boronic acid
INCHI
InChI=1S/C8H8B2O4S2/c11-9(12)7-3-1-5(15-7)6-2-4-8(16-6)10(13)14/h1-4,11-14H
InChIKey
GERFEEQVJFVEBC-UHFFFAOYSA-N
Smiles
B(C1=CC=C(S1)C2=CC=C(S2)B(O)O)(O)O
Isomeric SMILES
B(C1=CC=C(S1)C2=CC=C(S2)B(O)O)(O)O
Molecular Weight
253.9
Reaxy-Rn
8628543
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8628543&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
253.900 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
254.005 Da
Monoisotopic Mass
254.005 Da
Topological Polar Surface Area
137.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
220.000
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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