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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis(4-methylphenyl)-
797767-52-3 structure

2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis(4-methylphenyl)-

Iupac Name:4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CAS No.:797767-52-3
EINECS(EC#): 213-309-2
Molecular Weight:217.25
Molecular Formula:C10H11CLN2S (isomer)
Names and Identifiers
Synonyms

2,5-dihydroxy-3,6-bis(4-methylphenyl)benzo-1,4-quinone 2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4 2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione 2,5-dihydroxy-3,6-bis(p-tolyl)-1,4-benzoquinone AC1L5H5Z AC1Q6ITM CHEMBL1724651 CTK4G1175 DTXSID90182541 mls002707144 nsc 121839 nsc121839 nsc-121839 p-Benzoquinone,2,5-dihydroxy-3,6-di-p-tolyl- (6CI,7CI,8CI) smr001574539 ZINC1711016

Inchi
InChI=1S/C9H7N5S/c10-7-3-1-6(2-4-7)8-13-14-5-11-12-9(14)15-8/h1-5H,10H2
InChkey
CCDGNLHIXCYUNA-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C2=NN3C=NN=C3S2)N
Properties
Density
1.573
Boiling Point
°Cat760mmHg
Refractive Index
1.891
Flash Point
192.2°C
HS Code
2934999090
Computational chemical data
  • Molecular Weight:217.25g/mol
  • Molecular Formula:C10H11CLN2S
  • Compound Is Canonicalized:True
  • Exact Mass:217.042
  • Monoisotopic Mass:217.042
  • Complexity:231
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:97.3A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzgABAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAWAAAB8AAAHAQYAAAADAiBWgQ10IZIEAim AiRjZACSUItwgpgdyCAoZJiIKKKgkZGAIABgmAAIyAcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:7 495 135 63 43
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