6-Hydroxybenzo[d]thiazole-2-carbonitrile - ≥98% , CAS No.939-69-5

CAS: 939-69-5 Cat. No.: H305007 Peso molecular: 176.20 Número EC: 633-632-6

GRADE & PURITY ≥98%

Synonyms

6-hydroxy-benzo[d]thiazole-2-carbonitrile | 6-hydroxybenzo-[d]thiazole-2-carbonitrile | 6-hydroxybenzo[d]thiazole-2-carbonitrile | FT-0603716 | 2-Benzothiazolecarbonitrile, 6-hydroxy- | 6-Hydroxybenzothiazole-2-carbonitrile, 96% | C8H4N2OS | 6-Hydroxy-ben

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

6-hydroxy-benzo[d]thiazole-2-carbonitrile | 6-hydroxybenzo-[d]thiazole-2-carbonitrile | 6-hydroxybenzo[d]thiazole-2-carbonitrile | FT-0603716 | 2-Benzothiazolecarbonitrile, 6-hydroxy- | 6-Hydroxybenzothiazole-2-carbonitrile, 96% | C8H4N2OS | 6-Hydroxy-ben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196389
• Sonrisas canónicas: C1=CC2=C(C=C1O)SC(=N2)C#N
• IUPAC Name: 6-hydroxy-1,3-benzothiazole-2-carbonitrile
• InChIKey: SQAVNBZDECKYOT-UHFFFAOYSA-N
• INCHI: 1S/C8H4N2OS/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H
• Isómeros SMILES: C1=CC2=C(C=C1O)SC(=N2)C#N
• Peso molecular: 176.20
• Reaxy-Rn: 744134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=744134&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: 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxygen 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

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive；Moisture sensitive
• Punto de ebullición (°C): 374.7±34.0°C
• Punto de fusión (°C): 212-215°C（413.6 - 419 °F）
• Peso molecular: 176.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 176.004 Da
• Monoisotopic Mass: 176.004 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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