U0126-EtOH

Base Information

• Chemical Name: U0126-EtOH
• CAS No.: 1173097-76-1
• Molecular Formula: C20H22N6OS2
• Molecular Weight: 426.56
• Hs Code.: 29309090
• DSSTox Substance ID: DTXSID20585283
• Wikidata: Q27162647
• Mol file: 1173097-76-1.mol

Synonyms:U0126-EtOH;1173097-76-1;U0126 Ethanol;U0126.EtOH;(2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile compound with ethanol (1:1);(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol;2,3-Bis(amino((2-aminophenyl)thio)methylene)succinonitrile compound with ethanol (1:1);U0126 ethanolate;MLS006011056;SCHEMBL15668021;SCHEMBL15668023;CHEBI:90692;DTXSID20585283;EX-A958;AKOS027257254;CS-0173;AS-56173;HY-12031;SMR004702848;U0126 monoethanolate, >=98% (HPLC), powder;A848348;J-690041;Q27162647;(2Z,3Z)-2,3-bis(amino((2-aminophenyl)thio)methylene)succinonitrile ethanol;(2Z,3Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--ethanol (1/1);(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--ethanol (1:1);2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile ethanol salt;(2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate

Chemical Property of U0126-EtOH

Chemical Property:

• Boiling Point: 612.5 °C at 760 mmHg
• Flash Point: 324.2 °C
• PSA: 222.49000
• LogP: 5.68476
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: ≥21.33 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 426.12965169
• Heavy Atom Count: 29
• Complexity: 612

Purity/Quality:

99% ^*data from raw suppliers

U0126 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO.C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N
• Isomeric SMILES: CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N