All Photos(2)
Synonym(s):
Phenyl sulfone
Linear Formula:
(C6H5)2SO2
CAS Number:
Molecular Weight:
218.27
Beilstein:
1910573
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
97%
form
solid
bp
379 °C (lit.)
mp
123-129 °C (lit.)
SMILES string
O=S(=O)(c1ccccc1)c2ccccc2
InChI
1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI key
KZTYYGOKRVBIMI-UHFFFAOYSA-N
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Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
WGK
WGK 1
Flash Point(F)
363.2 °F
Flash Point(C)
184 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Charles W Locuson et al.
Journal of medicinal chemistry, 50(6), 1158-1165 (2007-02-22)
Several laboratories have demonstrated that activation of drug metabolism by P450s may occur via a mechanism that resembles allosterism from an enzyme kinetic standpoint. Because the effector drug binding site may be located in the same P450 binding pocket where
Anita Toulmin et al.
Journal of medicinal chemistry, 51(13), 3720-3730 (2008-06-19)
Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the partitioning systems are not well represented in the literature
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
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