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2-Decylthiophene - 97%, high purity , CAS No.24769-39-9
Basic Description
Synonyms
decylthiophene | D5240 | SCHEMBL272049 | Thiophene,2-decyl- | 2-Decylthiophene | T70640 | ZAA76939 | 2-Decylthiophene # | MFCD00715761 | Thiophene, 2-decyl- | DTXSID00340655
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Heteroaromatic compounds
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Heteroaromatic compounds
Alternative Parents
Thiophenes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
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
Pubchem Sid
488190334
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190334
IUPAC Name
2-decylthiophene
INCHI
InChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-14/h10,12-13H,2-9,11H2,1H3
InChIKey
GOTHKCARNFTUSW-UHFFFAOYSA-N
Smiles
CCCCCCCCCCC1=CC=CS1
Isomeric SMILES
CCCCCCCCCCC1=CC=CS1
Molecular Weight
224.41
Reaxy-Rn
123067
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123067&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.49
Flash Point(°C)
95 °C
Boil Point(°C)
167°C/17mmHg(lit.)
Molecular Weight
224.410 g/mol
XLogP3
6.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
9
Exact Mass
224.16 Da
Monoisotopic Mass
224.16 Da
Topological Polar Surface Area
28.200 Ų
Heavy Atom Count
15
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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D23261384