2-Mercaptobenzothiazole(MBT) - ≥98%, White Powder , CAS No.149-30-4

CAS: 149-30-4 Cat. No.: M1217837 Summenformel: C₇H₅NS₂ Molekulargewicht: 167.25 Beilstein Registry Number: 119484 EG-Nummer: 205-736-8

QUALITÄT & REINHEIT ≥98%, White Powder

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

2-Mercaptobenzothiazole (MBT) has been used in the synthesis of MBT functionalized mesoporous silica which can be used as an adsorbent for the removal of Hg(II) from aqueous solution.

It can also be used as a:

• Reference compound in photocatalytic activity tests under UV or visible light irradiation.

• Starting material for the synthesis of conjugates of 2-MBT for antitubercular activity studies.

• Starting material for the synthesis of 4-thiazolidinones.

Spezifikationen

Spezifikationen & Reinheit

≥98%, White Powder

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Aktionsart

ACTIVATOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528756374

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756374

Kanonisches Lächeln

C1=CC=C2C(=C1)NC(=S)S2

IUPAC Name

3H-1,3-benzothiazole-2-thione

InChIKey

YXIWHUQXZSMYRE-UHFFFAOYSA-N

INCHI

1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Isomere SMILES

C1=CC=C2C(=C1)NC(=S)S2

WGK Deutschland

2

RTECS

DL6475000

Alternative CAS-Nummer

118090-09-8

UN-Nummer

2811

Verpackungsgruppe

I

Molekulargewicht

167.25

Beilstein

119484

Reaxy-Rn

119484

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119484&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur 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 - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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: a thiazole

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol, diethyl ether, benzene, carbon tetrachloride, alkali and alkaline solutions. Slightly soluble in acetone, naphtha and glacial acetic acid. Insoluble in water and gasoline.
• Empfindlichkeit: Air Sensitive;Light Sensitive
• Flammpunkt (°F): 392 °F
• Flammpunkt (°C): 243 °C
• Siedepunkt (°C): >260℃
• Schmelzpunkt (°C): 178.0to183.0℃
• Molekulargewicht: 167.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.986 Da
• Monoisotopic Mass: 166.986 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 158.000
• 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