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

CAS: 1849-65-6 Cat. No.: C191729 Formula: C₇H₄ClNS₂ Peso molecolare: 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

Sinonimi

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-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC2=C(C(=C1)Cl)NC(=S)S2
• Peso molecolare: 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
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive；Moisture sensitive
• Punto di infiammabilità (°C): 153 ºC
• Punto di ebollizione (°C): 329 ºC
• Punto di fusione (°C): 209-210 ºC
• Peso molecolare: 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