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2303-01-7

2303-01-7 | Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-

CAS No: 2303-01-7 Catalog No: AG002LY3 MDL No:MFCD00005871

Product Description

Catalog Number:
AG002LY3
Chemical Name:
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-
CAS Number:
2303-01-7
Molecular Formula:
C21H18O5S
Molecular Weight:
382.4296
MDL Number:
MFCD00005871
IUPAC Name:
4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
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
InChI Key:
OLQIKGSZDTXODA-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C)C1(OS(=O)(=O)c2c1cccc2)c1ccc(cc1C)O
EC Number:
218-960-6
UNII:
85ODZ58K3D
NSC Number:
9607

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
Spectrophotometric calibration of pH electrodes in seawater using purified m-cresol purple. Environmental science & technology 20120501
Apical extrusion of sodium hypochlorite using different root canal irrigation systems. Journal of endodontics 20111201
Highly selective spectrophotometric flow-injection determination of trace amounts of bromide by catalytic effect on the oxidation of m-cresolsulfonephthalein by periodate. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040701
Membrane damage to bacteria caused by single and combined biocides. Journal of applied microbiology 20030101

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