WAY-607632 - 10mM in DMSO , CAS No.440638-20-0

CAS: 440638-20-0 Cat. No.: W423987 Summenformel: C₁₆H₁₆N₄S Molekulargewicht: 296.4 EG-Nummer: 650-441-3 PubChem CID: 788513

GRADE & PURITY 10mM in DMSO

Synonyms

4-[5-(benzylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine|440638-20-0|4-(5-(Benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine|4-[5-(benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine|Enamine_003461|Cambridge id 7117961|HMS1403N07|STK017665|AKOS0010191

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

increasing stress tolerance in plants

Specifications

Synonyme

4-[5-(benzylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine | 440638-20-0 | 4-(5-(Benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine | 4-[5-(benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine | Enamine_003461 | Cambridge id 7117961 | HMS1403N07 | STK017665 | AKOS0010191

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

• ALogP: 3.19
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 528768165
• Kanonisches Lächeln: CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3
• IUPAC Name: 4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)pyridine
• InChIKey: WWOIKNZOVDZDAT-UHFFFAOYSA-N
• INCHI: 1S/C16H16N4S/c1-2-20-15(14-8-10-17-11-9-14)18-19-16(20)21-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
• Isomere SMILES: CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3
• PubChem CID: 788513
• Molekulargewicht: 296.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,4-triazoles
• Alternative Parents: Alkylarylthioethers Benzene and substituted derivatives Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridyl-1,2,4-triazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 296.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 296.11 Da
• Monoisotopic Mass: 296.11 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 303.000
• 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