Benzothiazole - ≥96% , CAS No.95-16-9

CAS: 95-16-9 Cat. No.: B104854 Formula: C₇H₅NS Peso molecolare: 135.19 Beilstein Registry Number: 109468 Numero EC: 202-396-2

QUALITÀ & PUREZZA ≥96%

Synonyms

AKOS000120178 | NCGC00257070-01 | Benzothiazole, Vetec(TM) reagent grade, 96% | D77749 | EC 202-396-2 | FT-0662581 | Benzothiazole, analytical standard | CCRIS 7893 | SCHEMBL9304593 | FEMA No. 3256 | HSDB 2796 | AI3-05742 | Benzosulfonazole | NCGC00091399

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

AKOS000120178 | NCGC00257070-01 | Benzothiazole, Vetec(TM) reagent grade, 96% | D77749 | EC 202-396-2 | FT-0662581 | Benzothiazole, analytical standard | CCRIS 7893 | SCHEMBL9304593 | FEMA No. 3256 | HSDB 2796 | AI3-05742 | Benzosulfonazole | NCGC00091399

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504751273

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751273

Sorrisi canonici

C1=CC=C2C(=C1)N=CS2

IUPAC Name

1,3-benzothiazole

InChIKey

IOJUPLGTWVMSFF-UHFFFAOYSA-N

INCHI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Isomeri SMILES

C1=CC=C2C(=C1)N=CS2

WGK Germania

2

RTECS

DL0875000

Numero UN

2810

Peso molecolare

135.19

Beilstein

109468

Reaxy-Rn

109468

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109468&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 Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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: benzothiazoles

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water. Soluble in alcohol, carbon disulfide
• Sensibilità: Light & air sensitive.
• Indice di rifrazione: 1.6379
• Punto di infiammabilità (°F): 224.6 °F
• Punto di infiammabilità (°C): 107 °C
• Punto di ebollizione (°C): 231°C
• Punto di fusione (°C): 2°C
• Peso molecolare: 135.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 135.014 Da
• Monoisotopic Mass: 135.014 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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