(5-Amino-1,3,4-thiadiazol-2-yl)methanol - ≥97% , CAS No.56951-58-7

CAS: 56951-58-7 Cat. No.: A589512 Peso molecular: 131.16 Número EC: 819-578-8

GRADE & PURITY ≥97%

Synonyms

AT18876 | AKOS010133368 | SCHEMBL282865 | 2-amino-5-hydroxymethyl-1,3,4-thiadiazole | BS-51543 | URCCVQJLYSKFBQ-UHFFFAOYSA-N | Z600620432 | EN300-114425 | A924357 | MFCD12766834 | (5-amino-1,3,4-thiadiazol-2-yl)methanol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AT18876 | AKOS010133368 | SCHEMBL282865 | 2-amino-5-hydroxymethyl-1, 3, 4-thiadiazole | BS-51543 | URCCVQJLYSKFBQ-UHFFFAOYSA-N | Z600620432 | EN300-114425 | A924357 | MFCD12766834 | (5-amino-1, 3, 4-thiadiazol-2-yl)methanol

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(C1=NN=C(S1)N)O
• IUPAC Name: (5-amino-1,3,4-thiadiazol-2-yl)methanol
• InChIKey: URCCVQJLYSKFBQ-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3OS/c4-3-6-5-2(1-7)8-3/h7H,1H2,(H2,4,6)
• Isómeros SMILES: C(C1=NN=C(S1)N)O
• Peso molecular: 131.16
• Reaxy-Rn: 971818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiadiazoles
        • Level5 Aminothiadiazoles
          • Level6 2-amino-1,3,4-thiadiazoles
            • Level7 2-amino-5-substituted-1,3,4-thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles
• Direct Parent: 2-amino-5-substituted-1,3,4-thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-amino-5-substituted-1,3,4-thiadiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-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 (no humanos)

Pseudomonas aeruginosa (123386 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

• Peso molecular: 131.160 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 131.015 Da
• Monoisotopic Mass: 131.015 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.900
• 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