WAY-301122 - 10mM in DMSO , CAS No.76111-24-5

CAS: 76111-24-5 Cat. No.: W425867 Summenformel: C15H11Cl2N3OS Molekulargewicht: 352.24 PubChem CID: 984190
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GRADE & PURITY 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Deutschland (EU)
USA*
Price
Qty
1ml
W425867-1ml
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198,63€

290,61€
Speichern 91,98 € (31.65%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

cytotoxity (targeted to DNA topoisomerase II); anti-cancer activity; fungicides;

Specifications

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
ALogP4.967
Rotationsfähige Bindung4
Namen und Kennungen
Pubchem Sid528767818
Kanonisches LächelnC1=CC(=CC=C1N2C(=NNC2=S)COC3=CC=C(C=C3)Cl)Cl
IUPAC Name3-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
InChIKeyNBGDUTFBYUEICO-UHFFFAOYSA-N
INCHI1S/C15H11Cl2N3OS/c16-10-1-5-12(6-2-10)20-14(18-19-15(20)22)9-21-13-7-3-11(17)4-8-13/h1-8H,9H2,(H,19,22)
Isomere SMILES C1=CC(=CC=C1N2C(=NNC2=S)COC3=CC=C(C=C3)Cl)Cl
PubChem CID 984190
Molekulargewicht 352.24

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseAzoles
SubclassTriazoles
Intermediate Tree Nodes Phenyltriazoles
Direct ParentPhenyl-1,2,4-triazoles
Alternative Parents Phenoxy compounds  Phenol ethers  Chlorobenzenes  Alkyl aryl ethers  Aryl chlorides  Triazolines  Heteroaromatic compounds  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,4-triazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
DMSO (mM) Maximale Löslichkeit10
Molekulargewicht352.200 g/mol
XLogP34.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass351 Da
Monoisotopic Mass351 Da
Topological Polar Surface Area69.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity433.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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