WAY-300653 - 10mM in DMSO , CAS No.335215-56-0

CAS: 335215-56-0 Cat. No.: W423453 Formula: C₁₂H₁₅N₃OS Peso molecolare: 249.34 PubChem CID: 769947

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazole-3-thiol | WAY-300653 | 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | AKOS000268517 | SCHEMBL1544877 | BBL017395 | STK445510 | VS-06122 | 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

metabotropic glutamate receptor antagonists; metabotropic glutamate receptor antagonists; mGluR5 receptor antagonists;

Specifiche

Sinonimi

4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazole-3-thiol | WAY-300653 | 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | AKOS000268517 | SCHEMBL1544877 | BBL017395 | STK445510 | VS-06122 | 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528767811

Sorrisi canonici

CCN1C(=NNC1=S)COC2=CC=C(C=C2)C

IUPAC Name

4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

InChIKey

GNAJXKMTYGQCMD-UHFFFAOYSA-N

INCHI

1S/C12H15N3OS/c1-3-15-11(13-14-12(15)17)8-16-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,17)

Isomeri SMILES

CCN1C(=NNC1=S)COC2=CC=C(C=C2)C

PubChem CID

769947

Peso molecolare

249.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Alkyl aryl ethers Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Azole - Triazoline - 1,2,4-triazole - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 249.330 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.094 Da
• Monoisotopic Mass: 249.094 Da
• Topological Polar Surface Area: 69.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 311.000
• 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