ioduro di 3-metilbenzotiazolio - ≥98%(T) , CAS No.2786-31-4

CAS: 2786-31-4 Cat. No.: M158489 Formula: C₈H₈INS Peso molecolare: 277.12 Numero EC: 220-505-1 PubChem CID: 2735081

GRADE & PURITY ≥98%(T)

Synonyms

Benzothiazolium, 3-methyl-, iodide (1:1) | FT-0616131 | Benzothiazolium, 3-methyl-, iodide | Z56791134 | 3-Methylbenzothiazolium iodide | DTXSID20883892 | M1131 | NSC141732 | NSC-141732 | AS-64476 | 3-Methylbenzo[d]thiazol-3-ium iodide | Benzothiazole met

Storage

Protected from light,Room temperature

Shipped In

Normale

Panoramica

3-Methylbenzothiazolium iodide, is used as a pharmaceutical intermediate and also in organic chemical synthesis.

Specifications

Sinonimi

Benzothiazolium, 3-methyl-, iodide (1:1) | FT-0616131 | Benzothiazolium, 3-methyl-, iodide | Z56791134 | 3-Methylbenzothiazolium iodide | DTXSID20883892 | M1131 | NSC141732 | NSC-141732 | AS-64476 | 3-Methylbenzo[d]thiazol-3-ium iodide | Benzothiazole met

Specifiche e purezza

≥98%(T)

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normale

Purezza

≥98%(T)

Nomi e identificatori

• Pubchem Sid: 488192700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192700
• Sorrisi canonici: C[N+]1=CSC2=CC=CC=C21.[I-]
• IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium;iodide
• InChIKey: SGYIRNXZLWJMCR-UHFFFAOYSA-M
• INCHI: 1S/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1
• Isomeri SMILES: C[N+]1=CSC2=CC=CC=C21.[I-]
• PubChem CID: 2735081
• Peso molecolare: 277.12
• Reaxy-Rn: 3917816

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Soluble in hot methanol- almost transparency.
• Sensibilità: Light sensitive
• Punto di fusione (°C): 208-210℃
• Peso molecolare: 277.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.942 Da
• Monoisotopic Mass: 276.942 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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: 2

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