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M-Cresol purple

CAT: 0804-HY-D0252-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0252-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M-Cresol purple is a pH indicator dye with large cross section and halochromic property in neutral pH range[1].
CAS Number
2303-01-7
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Fluorescent Dye
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/m-cresol-purple.html
Solubility
10 mM in DMSO
Smiles
O=S1(OC(C2=CC=C(C=C2C)O)(C3=C1C=CC=C3)C4=CC=C(C=C4C)O)=O
Molecular Formula
C21H18O5S
Molecular Weight
382.43
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Zou X, et al. m-Cresol purple functionalized surface enhanced Raman scattering paper chips for highly sensitive detection of pH in the neutral pH range. Analyst. 2017 Jun 26;142 (13) :2333-2337.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

m-Cresol Purple

M0002 is an orally-active selective vasopressin antagonist that inhibits water re-absorption from the kidneys. It is a vasopressin 2 antagonist and represents a new class of compounds – aquaretics – that produce profound diuresis without loss of electrolytes. It will be of major benefit to those patients not responding satisfactorily to diuretics alone.

CAS Number2303-01-7
PubChem CID73030
IUPAC Name4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-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)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C
InChI
InChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey
OLQIKGSZDTXODA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Cresol Purple
CAS: 2303-01-7
CID: 73030
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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