N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide - ≥98% , CAS No.690634-07-2

CAS: 690634-07-2 Cat. No.: N336466 Peso molecular: 261.33 Número EC: 636-192-3

GRADE & PURITY ≥98%

Synonyms

N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide | N-(1,3-Thiazol-2-yl)-1H-1,2,3-benzotriazole-1-carbothioamide | DTXSID80393144 | SCHEMBL22469019 | N-(2-THIAZOLYL)-1H-BENZOTRIAZOLE-1-CARB | N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide, 97% | N-(1,

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Application:

Used as:

Corrosion inhibitor during copper corrosion in acid solutions

Thioacylating agent in the preparation of thioureas

Specifications

Sinónimos

N-(1, 3-thiazol-2-yl)benzotriazole-1-carbothioamide | N-(1, 3-Thiazol-2-yl)-1H-1, 2, 3-benzotriazole-1-carbothioamide | DTXSID80393144 | SCHEMBL22469019 | N-(2-THIAZOLYL)-1H-BENZOTRIAZOLE-1-CARB | N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide, 97% | N-(1,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

• Sonrisas canónicas: C1=CC=C2C(=C1)N=NN2C(=S)NC3=NC=CS3
• IUPAC Name: N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide
• InChIKey: HQCYBFVKEAZBJE-UHFFFAOYSA-N
• INCHI: 1S/C10H7N5S2/c16-10(12-9-11-5-6-17-9)15-8-4-2-1-3-7(8)13-14-15/h1-6H,(H,11,12,16)
• Isómeros SMILES: C1=CC=C2C(=C1)N=NN2C(=S)NC3=NC=CS3
• WGK Alemania: 3
• Peso molecular: 261.33
• Reaxy-Rn: 9766935
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9766935&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Benzenoids Triazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Benzenoid - Heteroaromatic compound - 1,2,3-triazole - Triazole - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• 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

• Peso molecular: 261.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 261.014 Da
• Monoisotopic Mass: 261.014 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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