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Cresol red

CAT: 0931-T88968-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T88968-01Size:100 mg
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CAS Number
1733-12-6
Target
Others
Related Pathways
Others
Bioactivity
Cresol Red is an anionic dye utilized as a pH indicator, changing from orange at pH 1.8 to yellow at pH 2.0, and from yellow at pH 7.0 to purple at pH 8.8.
Smiles
O=S1(=O)OC(C2=CC=C(O)C(=C2)C)(C3=CC=C(O)C(=C3)C)C=4C=CC=CC41
Molecular Formula
C21H18O5S
Molecular Weight
382.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cresol Red

Cresol red is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxy-5-methylphenyl groups. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a polyphenol, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.

CAS Number1733-12-6
PubChem CID73013
IUPAC Name4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol
Molecular FormulaC21H18O5S
Molecular Weight382.4
XLogP3.7
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity615
SMILES
CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O
InChI
InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey
OBRMNDMBJQTZHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cresol Red
CAS: 1733-12-6
CID: 73013
Formula: C21H18O5S
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass382.08749484
Monoisotopic Mass382.08749484
Topological Polar Surface Area92.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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