Bromothymol blue

CAS Registry Number®

76-59-5

CAS Name

Bromothymol blue

Molecular Formula

C27H28Br2O5S

Molecular Mass

624.38

Cite this Page

Bromothymol blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76-59-5 (retrieved 2024-11-24) (CAS RN: 76-59-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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,1-6H3

InChIKey

InChIKey=NUHCTOLBWMJMLX-UHFFFAOYSA-N

SMILES

CC1=C(C2(C=3C(S(=O)(=O)O2)=CC=CC3)C4=C(C)C(Br)=C(O)C(C(C)C)=C4)C=C(C(C)C)C(O)=C1Br

Canonical SMILES

O=S1(=O)OC(C=2C=CC=CC21)(C3=CC(=C(O)C(Br)=C3C)C(C)C)C4=CC(=C(O)C(Br)=C4C)C(C)C

Other Names for this Substance

  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-
  • Bromothymol blue
  • Thymol, 6,6′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide
  • 3H-2,1-Benzoxathiole, phenol deriv.

View All

Deleted or Replaced CAS Registry Numbers

519-49-3, 27459-90-1, 392711-47-6, 734522-99-7, 187674-42-6, 1007629-44-8, 1017792-00-5, 1020714-56-0, 1190126-34-1, 1202965-59-0

CAS INSIGHTSTM
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