2-Methylthiophenothiazine - ≥98%(HPLC) , CAS No.7643-08-5

CAS: 7643-08-5 Cat. No.: M139252 Peso molecular: 245.36 Beilstein Registry Number: 27(5)8,491 Número EC: 690-908-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Methyl Thiophenothiazine | EN300-21194 | 2-Methylthiophenothiazine | Ro 19-6327/001 | 2-Methylsulfanyl-10H-phenothiazine | SCHEMBL1165198 | MFCD00799974 | SR-03000000755-1 | AKOS001309884 | 2-(Methylthio)-10H-phenothiazine | 10H-Phenothiazine, 2-(methyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Methyl Thiophenothiazine | EN300-21194 | 2-Methylthiophenothiazine | Ro 19-6327/001 | 2-Methylsulfanyl-10H-phenothiazine | SCHEMBL1165198 | MFCD00799974 | SR-03000000755-1 | AKOS001309884 | 2-(Methylthio)-10H-phenothiazine | 10H-Phenothiazine, 2-(methyl

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488186048
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186048
• Sonrisas canónicas: CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2
• IUPAC Name: 2-methylsulfanyl-10H-phenothiazine
• InChIKey: OBVKBOLDEFIQDP-UHFFFAOYSA-N
• INCHI: 1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
• Isómeros SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2
• Peso molecular: 245.36
• Beilstein: 27(5)8,491
• Reaxy-Rn: 200451
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=200451&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Diarylthioethers Thiophenol ethers Alkylarylthioethers 1,4-thiazines Sulfenyl compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Diarylthioether - Aryl thioether - Thiophenol ether - Alkylarylthioether - Para-thiazine - Benzenoid - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

NOX1 Tchem NADPH oxidase 1 (1 Activities)

Discover Target: NOX1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HT-1080 (3966 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 141 °C
• Peso molecular: 245.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 245.033 Da
• Monoisotopic Mass: 245.033 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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

Referencias

1. Qiang Hou, Yali Wang, Jian Hu, Jianxiong Zhang, Caihua Zhang, Wang Song, Xuesong Wang, Baiqin Zheng, Xin Zhou.  (2024)  Simultaneous determination of phenothiazine drugs and their metabolites residues in animal derived foods by high performance liquid chromatography tandem mass spectrometry.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2024.110799]