2-Amino-5-chlorobenzothiazole - ≥97% , CAS No.20358-00-3

CAS: 20358-00-3 Cat. No.: A191940 Formula: C₇H₅ClN₂S Peso molecolare: 184.65 Numero EC: 606-533-0

GRADE & PURITY ≥97%

Synonyms

2-Amino-5-chlorobenzothiazole

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

2-Amino-5-chlorobenzothiazole

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488183112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183112
• Sorrisi canonici: C1=CC2=C(C=C1Cl)N=C(S2)N
• IUPAC Name: 5-chloro-1,3-benzothiazol-2-amine
• InChIKey: AVVSRALHGMVQQW-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
• Isomeri SMILES: C1=CC2=C(C=C1Cl)N=C(S2)N
• Peso molecolare: 184.65
• Reaxy-Rn: 128233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128233&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 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Primary amine - 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air sensitive
• Punto di fusione (°C): 201 °C
• Peso molecolare: 184.650 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.986 Da
• Monoisotopic Mass: 183.986 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20358-00-3, the molecular formula is C7H5ClN2S, and the molecular weight is 184.65 g/mol. InChIKey AVVSRALHGMVQQW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.