4-IsothiazolaMine,hydrochloride - ≥95% , CAS No.64527-29-3

CAS: 64527-29-3 Cat. No.: I304272 Peso molecular: 136.5 Número EC: 874-237-0

GRADE & PURITY ≥95%

Synonyms

ISOTHIAZOL-4-AMINE HCL | 1,2-Thiazol-4-amine hydrochloride (1:1) | 4-IsothiazolaMine,hydrochloride(1 | MFCD18914401 | 1,2-thiazol-4-amine;hydrochloride | EN300-267377 | Isothiazol-4-aminehydrochloride | 1,2-Thiazol-4-amine--hydrogen chloride (1/1) | DTXSI

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ISOTHIAZOL-4-AMINE HCL | 1, 2-Thiazol-4-amine hydrochloride (1:1) | 4-IsothiazolaMine, hydrochloride(1 | MFCD18914401 | 1, 2-thiazol-4-amine;hydrochloride | EN300-267377 | Isothiazol-4-aminehydrochloride | 1, 2-Thiazol-4-amine--hydrogen chloride (1/1) | DTXSI

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488201613
• Sonrisas canónicas: C1=C(C=NS1)N.Cl
• IUPAC Name: 1,2-thiazol-4-amine;hydrochloride
• InChIKey: HZDCYJWMJZADPX-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2S.ClH/c4-3-1-5-6-2-3;/h1-2H,4H2;1H
• Isómeros SMILES: C1=C(C=NS1)N.Cl
• Peso molecular: 136.5
• Reaxy-Rn: 3985866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3985866&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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2-thiazolamine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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: 136.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.986 Da
• Monoisotopic Mass: 135.986 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.100
• 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

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