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Merck
CN

217077

6-Hydroxy-1,3-benzoxathiol-2-one

≥98%

Synonym(s):

Tioxolone

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About This Item

Empirical Formula (Hill Notation):
C7H4O3S
CAS Number:
4991-65-5
Molecular Weight:
168.17
NACRES:
NA.22
PubChem Substance ID:
24852991
UNSPSC Code:
12352100
EC Number:
225-653-0
MDL number:
MFCD00005859
Assay:
≥98%

Key Documents

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solubility

diethyl ether: soluble, 95% ethanol: soluble 50 mg/mL, clear to very slightly hazy, colorless to yellow, benzene: soluble, isopropanol: soluble, propylene glycol: soluble, toluene: soluble, water: insoluble

InChI key

SLYPOVJCSQHITR-UHFFFAOYSA-N

InChI

1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H

SMILES string

Oc1ccc2SC(=O)Oc2c1

assay

≥98%

mp

158-160 °C (lit.)

Quality Level

100

Related Categories

General description

Antimicrobial and cytostatic properties of 6-hydroxy-1,3-benzoxathiol-2-one has been investigated. Supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one has been studied.

Application

6-Hydroxy-1,3-benzoxathiol-2-one was used in the synthesis of heterocycle-phosphor esters having potential antimicrobial activity.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBC0142V
STBC1485V
00619LH
04417DH
02904DE

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Alessio Innocenti et al.
Bioorganic & medicinal chemistry letters, 18(14), 3938-3941 (2008-06-24)
Inhibition of 13 mammalian isoforms of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1), CA I-XV, with thioxolone (6-hydroxy-1,3-benzoxathiol-2-one) and two sulfonamides was investigated. Thioxolone was inefficient for generating isozyme-selective inhibitors, since except for CA I which is inhibited in the
[Antimicrobial and cytostatic properties of 6-hydroxy-1,3-benzoxathiol-2-one (01 1)].
H Goeth et al.
Arzneimittel-Forschung, 19(8), 1298-1304 (1969-08-01)
Contact dermatitis to thioxolone.
J G Camarasa
Contact dermatitis, 7(4), 213-214 (1981-07-01)
Contact dermatitis to thioxolone.
H Näher et al.
Contact dermatitis, 17(4), 250-251 (1987-10-01)
Facile regioselective synthesis and antimicrobial activity of heterocycle-phosphor esters.
Abdou WM, et al.
Monatshefte fur Chemie / Chemical Monthly, 145(4), 675-682 (2014)
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