Phenothiazine-10-carbonyl chloride - ≥98% , CAS No.18956-87-1

CAS: 18956-87-1 Cat. No.: P120147 Peso molecular: 261.732 Número EC: 242-699-7

GRADE & PURITY ≥98%

Synonyms

FT-0637770 | EINECS 242-699-7 | SY011494 | AS-61683 | EN300-18536746 | Phenothiazine N-carbonyl chloride | DTXSID50172367 | SCHEMBL522271 | AC7995 | BBL011083 | 10H-Phenothiazine-10-carbonyl chloride | AKOS005622495 | MFCD00044216 | A813331 | Phenothiazin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0637770 | EINECS 242-699-7 | SY011494 | AS-61683 | EN300-18536746 | Phenothiazine N-carbonyl chloride | DTXSID50172367 | SCHEMBL522271 | AC7995 | BBL011083 | 10H-Phenothiazine-10-carbonyl chloride | AKOS005622495 | MFCD00044216 | A813331 | Phenothiazin

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755907
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755907
• Sonrisas canónicas: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)Cl
• IUPAC Name: phenothiazine-10-carbonyl chloride
• InChIKey: MJRIZSDRKPPHTK-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClNOS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H
• Isómeros SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)Cl
• Peso molecular: 261.732
• Reaxy-Rn: 189786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=189786&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 Benzenoids 1,4-thiazines Organic carbonic acids and derivatives Carbamic acid halides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Diarylthioether - Aryl thioether - Para-thiazine - Benzenoid - Carbamic acid halide - Carbamic acid derivative - Carbonic acid derivative - Thioether - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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

Propiedades químicas y físicas

• Peso molecular: 261.730 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 261.002 Da
• Monoisotopic Mass: 261.002 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 290.000
• 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