2-Amino-4,5,6,7-tetrahydrobenzothiazole - ≥97% , CAS No.2933-29-1

CAS: 2933-29-1 Cat. No.: A169332 Peso molecular: 154.23 Número EC: 636-709-2

GRADE & PURITY ≥97%

Synonyms

AKOS000103471 | SY007341 | F1040-0006 | 4,5,6,7-tetrahydrobenzothiazole-2-ylamine | DTXSID20183566 | J-017478 | EN300-02259 | FT-0634565 | 2-imino-2,3,4,5,6,7-hexahydrobenzothiazole | HMS1681A20 | SB36421 | SCHEMBL558522 | 4,5,6,7-Tetrahydrobenzothiazol-2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000103471 | SY007341 | F1040-0006 | 4, 5, 6, 7-tetrahydrobenzothiazole-2-ylamine | DTXSID20183566 | J-017478 | EN300-02259 | FT-0634565 | 2-imino-2, 3, 4, 5, 6, 7-hexahydrobenzothiazole | HMS1681A20 | SB36421 | SCHEMBL558522 | 4, 5, 6, 7-Tetrahydrobenzothiazol-2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488182428
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182428
• Sonrisas canónicas: C1CCC2=C(C1)N=C(S2)N
• IUPAC Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
• InChIKey: SMWAOXCEPHEGFV-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
• Isómeros SMILES: C1CCC2=C(C1)N=C(S2)N
• WGK Alemania: 3
• RTECS: DL6425000
• Peso molecular: 154.23
• Reaxy-Rn: 116192
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles
        • Level5 Aminothiazoles
          • Level6 2-amino-1,3-thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Aminothiazoles
• Direct Parent: 2-amino-1,3-thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-amino-1,3-thiazoles. These are compounds containing a 1,3-thiazole ring substituted by an amine group at the 2-position.
• 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

Objetivos asociados (humanos)

HUVEC (11049 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 86-90°C
• Peso molecular: 154.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.056 Da
• Monoisotopic Mass: 154.056 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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