Home Other Building Blocks Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-

CAS No.:
1733-12-6
Catalog Number:
AG001YRK
Molecular Formula:
C21H18O5S
Molecular Weight:
382.4296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)
1 week
United States
$57
- +
25g
≥ 96% (Dye Content)
1 week
United States
$82
- +
100g
≥ 96% (Dye Content)
1 week
United States
$177
- +
250g
≥ 96% (Dye Content)
1 week
United States
$316
- +
Product Description
Catalog Number:
AG001YRK
Chemical Name:
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-
CAS Number:
1733-12-6
Molecular Formula:
C21H18O5S
Molecular Weight:
382.4296
MDL Number:
MFCD00005878
IUPAC Name:
4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methylphenol
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
InChI Key:
OBRMNDMBJQTZHV-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1O)C1(OS(=O)(=O)c2c1cccc2)c1ccc(c(c1)C)O
EC Number:
217-064-2
UNII:
839K2R4B8K
NSC Number:
7224
Properties
Complexity:
615  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.087g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
382.43g/mol
Monoisotopic Mass:
382.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Nanoengineered optical urea biosensor for estimating hemodialysis parameters in spent dialysate. Analytica chimica acta 20100831
Multivariate image analysis-thin layer chromatography (MIA-TLC) for simultaneous determination of co-eluting components. The Analyst 20100701
Evaluation of indicator-based pH measurements for freshwater over a wide range of buffer intensities. Environmental science & technology 20080815
The effect of anionic and cationic surfactants on indicators and measurement of dissociation constants with two different methods. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070601
Quantifying individual fruit fly consumption with Anastrepha suspensa (Diptera: Tephritidae). Journal of economic entomology 20041201
Ion transport across model lipid membranes containing light-harvesting complex II: an effect of light. Journal of photochemistry and photobiology. B, Biology 20040319
[The reactions between acidic phenolsulfonphthaleins and human serum albumin]. Guang pu xue yu guang pu fen xi = Guang pu 20030601
[Spectrophotometry determination of roxithromycin based on charge transfer reaction]. Guang pu xue yu guang pu fen xi = Guang pu 20030201
A direct continuous pH-spectrophotometric assay for arginine kinase activity. Protein and peptide letters 20021201
Kinetics of proton uptake and dye binding by photoactive yellow protein in wild type and in the E46Q and E46A mutants. Biochemistry 20020806
Determination of the acid dissociation constant of bromocresol green and cresol red in water/AOT/isooctane reverse micelles by multiple linear regression and extended principal component analysis. Annali di chimica 20020101
Properties