4-Chloro-2-Mercaptobenzothiazole - ≥97% , CAS No.1849-65-6

CAS: 1849-65-6 Cat. No.: C191729 Peso molecular: 201.70

GRADE & PURITY ≥97%

Synonyms

AB23779 | AKOS016004154 | BDBM50570905 | FT-0689533 | SCHEMBL3096248 | FS-3669 | 4-Chlorobenzo[d]thiazole-2(3H)-thione | DS-2440 | 2(3H)-Benzothiazolethione, 4-chloro- | 4-Chlorobenzo[d]thiazole-2-thiol | 4-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL | 4-chloro-2,3-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AB23779 | AKOS016004154 | BDBM50570905 | FT-0689533 | SCHEMBL3096248 | FS-3669 | 4-Chlorobenzo[d]thiazole-2(3H)-thione | DS-2440 | 2(3H)-Benzothiazolethione, 4-chloro- | 4-Chlorobenzo[d]thiazole-2-thiol | 4-CHLORO-1, 3-BENZOTHIAZOLE-2-THIOL | 4-chloro-2, 3-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C(=C1)Cl)NC(=S)S2
• IUPAC Name: 4-chloro-3H-1,3-benzothiazole-2-thione
• InChIKey: MYBFPRUVQGKNIV-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
• Isómeros SMILES: C1=CC2=C(C(=C1)Cl)NC(=S)S2
• Peso molecular: 201.70
• Reaxy-Rn: 1103025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103025&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive；Moisture sensitive
• Punto de inflamación (°C): 153 ºC
• Punto de ebullición (°C): 329 ºC
• Punto de fusión (°C): 209-210 ºC
• Peso molecular: 201.700 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.947 Da
• Monoisotopic Mass: 200.947 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 185.000
• 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