Dibromothymolsulfophthalein

PubChem Notes:

Bromthymol Blue A pH sensitive dye that has been used as an indicator in many laboratory reactions.

Molecular Formula: C27H28Br2O5S


InChI: 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,1-6H3

InChIKey: InChIKey=NUHCTOLBWMJMLX-UHFFFAOYAD
SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)C(C)C)C(C)C)O)Br

Names:
    BRN 0373934
    Bromothymol blue
    BROMTHYMOL BLUE
    Dibromothymolsulfophthalein
    EINECS 200-971-2
    NSC 7819
    Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide (8CI)
    2-bromo-4-[9-(3-bromo-4-hydroxy-2-methyl-5-propan-2-yl-phenyl)-7,7-dioxo-8-oxa-7λ6-thiabicyclo[4.3.0]nona-1,3,5-trien-9-yl]-3-methyl-6-propan-2-yl-phenol
    3,3'-Dibromothymolsulfonphthalein
    5-19-03-00461 (Beilstein Handbook Reference)
    76-59-5

Registries:
    PubChem CID 6450
    PubChem ID 149400