4-Hydroxybenzothiazole - ≥97% , CAS No.7405-23-4

CAS: 7405-23-4 Cat. No.: B590049 Summenformel: C₇H₅NOS Molekulargewicht: 151.18

GRADE & PURITY ≥97%

Synonyms

NZFKDDMHHUEVPI-UHFFFAOYSA-N | MFCD11046398 | benzothiazol-4-ol | NSC 403244 | DTXSID60224947 | 4-hydroxybenzthiazol | 1,3-benzothiazol-4-ol | 4-Benzothiazolol | 4-Hydroxybenzothiazole | 4-Hydroxy-benzothiazole | AM86176 | 4hydroxy benzothiazole | 4-hydrox

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

NZFKDDMHHUEVPI-UHFFFAOYSA-N | MFCD11046398 | benzothiazol-4-ol | NSC 403244 | DTXSID60224947 | 4-hydroxybenzthiazol | 1,3-benzothiazol-4-ol | 4-Benzothiazolol | 4-Hydroxybenzothiazole | 4-Hydroxy-benzothiazole | AM86176 | 4hydroxy benzothiazole | 4-hydrox

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504755565
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755565
• Kanonisches Lächeln: C1=CC(=C2C(=C1)SC=N2)O
• IUPAC Name: 1,3-benzothiazol-4-ol
• InChIKey: NZFKDDMHHUEVPI-UHFFFAOYSA-N
• INCHI: 1S/C7H5NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
• Isomere SMILES: C1=CC(=C2C(=C1)SC=N2)O
• Alternative CAS-Nummer: 7405-23-4
• NSC-Nummer: 403244
• MeSH-Eintrag: 4-hydroxybenzothiazole
• Molekulargewicht: 151.18
• Reaxy-Rn: 119177
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119177&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: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen 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: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 151.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.009 Da
• Monoisotopic Mass: 151.009 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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