Basic red 29 , CAS No.42373-04-6

CAS: 42373-04-6 Cat. No.: B330851 分子式: C₁₉H₁₇ClN₄S 分子量: 368.88 EC番号: 255-785-4

Synonyms

3-methyl-2-[(E)-(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-thiazol-3-ium chloride | DTXSID0030900 | C.I. Basic Red 29 | SCHEMBL3901439 | FTJ572L493 | Thiazolium, 3-methyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-, chloride (1:1) | Thiazolium, 3

Storage

Room temperature

Shipped In

Normal

概要

Basic Red 29 is a red stain.

Specifications

同義語

3-methyl-2-[(E)-(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-thiazol-3-ium chloride | DTXSID0030900 | C.I. Basic Red 29 | SCHEMBL3901439 | FTJ572L493 | Thiazolium, 3-methyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-, chloride (1:1) | Thiazolium, 3

保管条件

Room temperature

入荷

Normal

名前と識別子

• パブケム・シド: 488186769
• カノニカル・スマイル: CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=CS4)C.[Cl-]
• IUPAC Name: (1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;chloride
• InChIKey: WMAVHUWINYPPKT-UHFFFAOYSA-M
• INCHI: 1S/C19H17N4S.ClH/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;/h3-13H,1-2H3;1H/q+1;/p-1
• 異性体SMILES: CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=CS4)C.[Cl-]
• WGKドイツ: 3
• RTECS: XJ7050330
• 分子量: 368.88
• Reaxy-Rn: 19328253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19328253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles N-alkylindoles N-methylpyrroles Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - N-alkylindole - Monocyclic benzene moiety - N-methylpyrrole - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Thiazole - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic chloride salt - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in water (partly).
• 分子量: 368.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 368.086 Da
• Monoisotopic Mass: 368.086 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 451.000
• 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

XLogP3

参考文献

1. Yao Haixu, Wang Yan, Shi Jincheng, Gao Xinzhuo, Yang Xueqiong, Liu Mengyuan, Li Yuxin, Jin Yingyu, Zhou Qin, Cui Feiyun.  (2026)  BIENs: biomimetic interface encoding on Fe3O4@Au nanoplatforms for multiplexed cytokine profiling.  MICROCHIMICA ACTA,  193  (7): (496).  [PMID:] [10.1007/s00604-026-08221-1]