2-Aminobenzothiazole Hydrochloride - ≥97% , CAS No.94787-08-3

CAS: 94787-08-3 Cat. No.: A151210 Peso molecular: 186.66 Número EC: 806-940-5

GRADE & PURITY ≥97%

Synonyms

1,3-benzothiazol-2-amine;hydrochloride | AC-27838 | 2-Aminobenzothiazole HCl | NIOSH/DL2715000 | SCHEMBL9229829 | 2-aminobenzo[d]thiazole hydrochloride | AKOS025401991 | A1218 | 2-AMINOBENZO[D]THIAZOLE HCL | Benzothiazole, 2-amino-, monohydrochloride | DL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3-benzothiazol-2-amine;hydrochloride | AC-27838 | 2-Aminobenzothiazole HCl | NIOSH/DL2715000 | SCHEMBL9229829 | 2-aminobenzo[d]thiazole hydrochloride | AKOS025401991 | A1218 | 2-AMINOBENZO[D]THIAZOLE HCL | Benzothiazole, 2-amino-, monohydrochloride | DL

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488194194
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194194
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C(S2)N.Cl
• IUPAC Name: 1,3-benzothiazol-2-amine;hydrochloride
• InChIKey: UEQOZTASNGWDPC-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2S.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H2,8,9);1H
• Isómeros SMILES: C1=CC=C2C(=C1)N=C(S2)N.Cl
• Peso molecular: 186.66
• Reaxy-Rn: 3692834
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3692834&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 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - 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

Propiedades químicas y físicas

• Punto de fusión (°C): 240 °C(dec.)
• Peso molecular: 186.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.002 Da
• Monoisotopic Mass: 186.002 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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: 2

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