Bromothymol blue

2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol

CAS: 76-59-5

Molecular Formula	`C27H28Br2O5S`
Molecular Weight	624.4 g/mol
LogP	7.6
Topological Polar Surface Area	92.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	624.00037
Heavy Atoms	35
Complexity	818.0

Chemical Identifiers

CAS Number	76-59-5
SMILES	`CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C`
InChIKey	`NUHCTOLBWMJMLX-UHFFFAOYSA-N`

📖 Product Overview

Bromothymol blue (CAS: 76-59-5) is a chemical compound with molecular formula C27H28Br2O5S and molecular weight 624.4 g/mol. Its IUPAC systematic name is 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol. LogP 7.6 Topological Polar Surface Area 92.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 624.00037 Heavy Atoms 35 Complexity 818.0 InChI Key: NUHCTOLBWMJMLX-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C.

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