2,4-Dichlorothiobenzamide - ≥95% , CAS No.2775-38-4

CAS: 2775-38-4 Cat. No.: B301192 Peso molecular: 206.09 Número EC: 674-690-2

GRADE & PURITY ≥95%

Synonyms

WDNBLWURITYPQL-UHFFFAOYSA-N | DTXSID10950441 | AS-31112 | HMS565F16 | SB77619 | 2,4-dichlorobenzene-1-carbothioamide | Benzenecarbothioamide, 2,4-dichloro- | C7H5Cl2NS | SW6AW52BK2 | MFCD00173930 | 2,4-dichlorobenzenecarbothioamide | 2,4-Dichlorobenzothio

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

WDNBLWURITYPQL-UHFFFAOYSA-N | DTXSID10950441 | AS-31112 | HMS565F16 | SB77619 | 2, 4-dichlorobenzene-1-carbothioamide | Benzenecarbothioamide, 2, 4-dichloro- | C7H5Cl2NS | SW6AW52BK2 | MFCD00173930 | 2, 4-dichlorobenzenecarbothioamide | 2, 4-Dichlorobenzothio

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761206
• Sonrisas canónicas: C1=CC(=C(C=C1Cl)Cl)C(=S)N
• IUPAC Name: 2,4-dichlorobenzenecarbothioamide
• InChIKey: WDNBLWURITYPQL-UHFFFAOYSA-N
• INCHI: 1S/C7H5Cl2NS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
• Isómeros SMILES: C1=CC(=C(C=C1Cl)Cl)C(=S)N
• Peso molecular: 206.09
• Reaxy-Rn: 2209127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: 206.090 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.952 Da
• Monoisotopic Mass: 204.952 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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