Cresol red indicator - 0.04%(w/v) in water , CAS No.1733-12-6

CAS: 1733-12-6 Cat. No.: C196466 Formula: C₂₁H₁₈O₅S Molecular Weight: 382.43 Beilstein Registry Number: 343399 EC Number: 217-064-2

GRADE & PURITY 0.04%(w/v) in water

Synonyms

AKOS000813825 | NSC7224 | NSC-7224 | Cresol red indicator | D89243 | BS-43766 | CresolRed | FT-0640840 | CRESOL RED [MI] | Cresol red, indicator grade, Dye content 95 % | 3,3-bis(4-hydroxy-5-methylphenyl)-2,1lambda(6)-benzoxathiole-1,1(3H)-dione | 4,4'-(1

Storage

Room temperature

Shipped In

Normal

Overview

Cresol red is commonly used with lead acetate for the detection of urease after PAGE. It is also used as an indicator with the following transition intervals: pH 1.8 (orange) to pH 2.0 (yellow); pH 7.0 (yellow) to pH 8.8 (violet).
Cresol Red is used as a tracking dye in DNA, RNA (agarose) and protein (polyacrylamide) electrophoresis. In agarose, Cresol Red runs with an apparent molecular size of approx. 125 bp DNA. Cresol Red does not inhibit Taq polymerase. Recently Cresol Red has been used as a pH sensitive indicator dye in nanoengineered optical urea biosensors films and hetero-core structured fiber optic pH sensor.

Specifications

Synonyms

AKOS000813825 | NSC7224 | NSC-7224 | Cresol red indicator | D89243 | BS-43766 | CresolRed | FT-0640840 | CRESOL RED [MI] | Cresol red, indicator grade, Dye content 95 % | 3,3-bis(4-hydroxy-5-methylphenyl)-2,1lambda(6)-benzoxathiole-1,1(3H)-dione | 4,4'-(1

Specifications & Purity

0.04%(w/v) in water

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

528773572

Canonical Smiles

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O

IUPAC Name

4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methylphenol

InChIKey

OBRMNDMBJQTZHV-UHFFFAOYSA-N

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

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O

WGK Germany

3

Molecular Weight

382.43

Beilstein

343399

Reaxy-Rn

343399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=343399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofuranones
• Alternative Parents: Phthalides Benzoxathioles Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuranone - Phthalide - Benzoxathiole - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
• External Descriptors: polyphenol - arenesulfonate ester - 2,1-benzoxathiole - sultone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 290 °C
• Molecular Weight: 382.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 382.087 Da
• Monoisotopic Mass: 382.087 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 615.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1