Sodium 2-Mercaptobenzothiazole - ≥97%(HPLC) , CAS No.2492-26-4

CAS: 2492-26-4 Cat. No.: S161093 Peso molecular: 189.23 Número EC: 219-660-8

GRADE & PURITY ≥97%(HPLC)

Synonyms

2-Mercaptobenzothiazole sodium salt | sodium 1,3-benzothiazole-2-thiolate | CAS-2492-26-4 | Sodium 2-mercaptobenzothiolate | Sodiummercaptobenzothiazole | SODIUM 2-MERCAPTOBENZOTHIAZOLE [HSDB] | Sodium MBT | sodium;1,3-benzothiazole-2-thiolate | Q27094161

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Mercaptobenzothiazole sodium salt | sodium 1, 3-benzothiazole-2-thiolate | CAS-2492-26-4 | Sodium 2-mercaptobenzothiolate | Sodiummercaptobenzothiazole | SODIUM 2-MERCAPTOBENZOTHIAZOLE [HSDB] | Sodium MBT | sodium;1, 3-benzothiazole-2-thiolate | Q27094161

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488194523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194523
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C(S2)[S-].[Na+]
• IUPAC Name: sodium;1,3-benzothiazole-2-thiolate
• InChIKey: VLDHWMAJBNWALQ-UHFFFAOYSA-M
• INCHI: 1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
• Isómeros SMILES: C1=CC=C2C(=C1)N=C(S2)[S-].[Na+]
• RTECS: DL6725000
• Número ONU: 1760
• Grupo de embalaje: I
• Peso molecular: 189.23
• Reaxy-Rn: 776846

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 Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic salt - Organic sodium salt - Organic zwitterion - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen 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

• Solubilidad: souble in water
• Peso molecular: 189.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 188.968 Da
• Monoisotopic Mass: 188.968 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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

XLogP3

Referencias

1. Xiaoxiao Chen, Qianyi Huang, Rui Hou, Shan Liu, Hengxiang Li, Tiantian Chen, Xiangrong Xu.  (2025)  Benzotriazole (BT) and benzothiazole (BTH) derivatives as emerging marine pollutants in the Pearl River Estuary: Spatiotemporal distribution, environmental fates, and ecological risks.  ENVIRONMENTAL POLLUTION,      [PMID:40675245] [10.1016/j.envpol.2025.126840]