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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:39, 15 February 2012 (Saving copy of the {{chembox}} taken from revid 475367158 of page Bromothymol_blue for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 12:39, 15 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475367158 of page Bromothymol_blue for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 475367158 of page Bromothymol_blue with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-isopropyl-3-methylphenol)
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3Key: NUHCTOLBWMJMLX-UHFFFAOYSA-N
  • InChI=1/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3Key: NUHCTOLBWMJMLX-UHFFFAOYAD
SMILES
  • Brc1c(O)c(cc(c1C)C3(OS(=O)(=O)c2ccccc23)c4cc(c(O)c(Br)c4C)C(C)C)C(C)C
Properties
Chemical formula C27H28Br2O5S
Molar mass 624.38 g·mol
Density 1.25 g/cm
Melting point 202 °C (396 °F; 475 K)
Acidity (pKa) 7.10
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound