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2-Ethoxy-5-(tributylstannyl)thiazole - 95%, high purity , CAS No.446285-61-6
Basic Description
Synonyms
2-Ethoxy-5-(tributylstannyl)thiazole | 446285-61-6 | 2-ethoxy-5-(tributylstannyl)-1,3-thiazole | tributyl-(2-ethoxy-1,3-thiazol-5-yl)stannane | MFCD09025788 | 5-(Tributylstannyl)-2-ethoxythiazole | SCHEMBL1763533 | DTXSID40586030 | HKTFMFBUSSUPGJ-UHFFFAOYSA-N | WSA28561 | AK
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,5-disubstituted thiazoles
Alternative Parents
Alkyl aryl ethers Metal aryls Heteroaromatic compounds Trialkyltins Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Metal aryl - Heteroaromatic compound - Trialkyltin - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organotin compound - Organooxygen compound - Organonitrogen compound - Organometallic compound - Organic post-transition metal moeity - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
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
tributyl-(2-ethoxy-1,3-thiazol-5-yl)stannane
INCHI
InChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;
InChIKey
HKTFMFBUSSUPGJ-UHFFFAOYSA-N
Smiles
CCCC[Sn](CCCC)(CCCC)C1=CN=C(S1)OCC
Isomeric SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(S1)OCC
Molecular Weight
418.2
Reaxy-Rn
14253505
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14253505&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
418.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
12
Exact Mass
419.13 Da
Monoisotopic Mass
419.13 Da
Topological Polar Surface Area
50.400 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
243.000
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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