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4-Iodo-1-tosyl-1H-imidazole - 98%, high purity , CAS No.163854-63-5
Discover 4-Iodo-1-tosyl-1H-imidazole by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-IODO-1-TOSYL-1H-IMIDAZOLE | 163854-63-5 | 4-Iodo-1-p-tosylimidazole | 4-iodo-1-(4-methylphenyl)sulfonylimidazole | 4-Iodo-1-[(4-methylphenyl)sulfonyl]-1H-imidazole | 1H-Imidazole, 4-iodo-1-[(4-methylphenyl)sulfonyl]- | 4-iodo-1-(4-methylbenzenesulfonyl)-1H-imidazol
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Tosyl compounds Benzenesulfonyl compounds N-substituted imidazoles Aryl iodides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Aryl halide - Aryl iodide - N-substituted imidazole - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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
4-iodo-1-(4-methylphenyl)sulfonylimidazole
INCHI
InChI=1S/C10H9IN2O2S/c1-8-2-4-9(5-3-8)16(14,15)13-6-10(11)12-7-13/h2-7H,1H3
InChIKey
GNMAMHYZZVUENR-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)I
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)I
Molecular Weight
348.2
Reaxy-Rn
7208997
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7208997&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
348.160 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
347.943 Da
Monoisotopic Mass
347.943 Da
Topological Polar Surface Area
60.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
333.000
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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