ST50134180 - ≥95% , CAS No.500112-74-3

CAS: 500112-74-3 Cat. No.: S1360361 Número EC: 691-185-2 PubChem CID: 2383729

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23

IUPAC Name

5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione

InChIKey

LNDYWRMGFKFDTC-UHFFFAOYSA-N

INCHI

1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-16-11-13-12-10(15)14(9)11/h2-6H,1H3,(H,12,15)

Isómeros SMILES

CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23

CAS alternativo

500112-74-3

PubChem CID

2383729

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazolothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazolothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolothiazoles
• Alternative Parents: Toluenes Triazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolothiazole - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazolothiazoles. These are polycyclic compounds containing a triazole ring fused to a thiazole ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• 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: 247.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.024 Da
• Monoisotopic Mass: 247.024 Da
• Topological Polar Surface Area: 85.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 381.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 500112-74-3. InChIKey LNDYWRMGFKFDTC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.