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

CAS: 18956-87-1 Cat. No.: P120147 Molecular Weight: 261.732 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755907
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755907
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)Cl
• Molecular Weight: 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
    • Class Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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