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2-(4-Chlorophenylthio)benzaldehyde - ≧95%, high purity , CAS No.107572-07-6
Basic Description
Synonyms
2-(4-Chlorophenylthio)Benzaldehyde | 107572-07-6 | 2-((4-chlorophenyl)thio)benzaldehyde | 2-[(4-Chlorophenyl)thio]benzaldehyde | 2-(4-chlorophenyl)sulfanylbenzaldehyde | 2-[(4-chlorophenyl)sulfanyl]benzaldehyde | Benzaldehyde,2-[(4-chlorophenyl)thio]- | SCHEMBL2271692 |
Specifications & Purity
≥95%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Thiophenol ethers Benzoyl derivatives Benzaldehydes Chlorobenzenes Vinylogous thioesters Aryl chlorides Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diarylthioether - Benzaldehyde - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
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
2-(4-chlorophenyl)sulfanylbenzaldehyde
INCHI
InChI=1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKey
CQKLAEUCMKGSEQ-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl
Isomeric SMILES
C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl
Molecular Weight
248.72
Reaxy-Rn
5810711
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5810711&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive
Boil Point(°C)
102-104°/14mm
Melt Point(°C)
73.8-75.4°C
Molecular Weight
248.730 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
248.006 Da
Monoisotopic Mass
248.006 Da
Topological Polar Surface Area
42.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
226.000
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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G2301257