5-Amino-3-methyl-isothiazole hydrochloride - ≥97% , CAS No.52547-00-9

CAS: 52547-00-9 Cat. No.: A119078 Peso molecular: 150.63 Número EC: 257-997-2

GRADE & PURITY ≥97%

Synonyms

5-Isothiazolamine, 3-methyl-, hydrochloride (1:1) | 3-Methylisothiazol-5-amine HCl | SB37511 | 3-methyl-isothiazole-5-amine hydrochloride | AMY37729 | FT-0630068 | 5-ISOTHIAZOLAMINE, 3-METHYL-, MONOHYDROCHLORIDE | A829135 | 3-methyl-5-amino-isothiazole hc

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：
5-Amino-3-methyl-isothiazole hydrochloride may be used in chemical synthesis studies.

Used for pharmacological studies as a precursor for:

1.MMP12 inhibitors

2.Aurora kinase inhibitors

3.N-Heterocyclic indolyl glyoxylamides as anticancer agents.

Specifications

Sinónimos

5-Isothiazolamine, 3-methyl-, hydrochloride (1:1) | 3-Methylisothiazol-5-amine HCl | SB37511 | 3-methyl-isothiazole-5-amine hydrochloride | AMY37729 | FT-0630068 | 5-ISOTHIAZOLAMINE, 3-METHYL-, MONOHYDROCHLORIDE | A829135 | 3-methyl-5-amino-isothiazole hc

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192220
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192220
• Sonrisas canónicas: CC1=NSC(=C1)N.Cl
• IUPAC Name: 3-methyl-1,2-thiazol-5-amine;hydrochloride
• InChIKey: ZRTGHKVPFXNDHE-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
• Isómeros SMILES: CC1=NSC(=C1)N.Cl
• WGK Alemania: 3
• Peso molecular: 150.63
• Reaxy-Rn: 3689447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3689447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminothiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2-thiazolamine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminothiazoles. These are compounds containing a thiazole ring substituted by one or more amine groups.
• 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: 150.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.002 Da
• Monoisotopic Mass: 150.002 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.700
• 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