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217077

Sigma-Aldrich

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
EC Number:
225-653-0
MDL number:
MFCD00005859
UNSPSC Code:
12352100
PubChem Substance ID:
24852991
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

assay

≥98%

mp

158-160 °C (lit.)

solubility

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

SMILES string

Oc1ccc2SC(=O)Oc2c1

InChI

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

InChI key

SLYPOVJCSQHITR-UHFFFAOYSA-N

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251038375462284297
6-Hydroxy-1,3-benzoxathiol-2-one ≥98%

217077

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

2-Benzyl-2-thiopseudourea hydrochloride 98%

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3H-1,2-Benzodithiol-3-one 97%

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3H-1,2-Benzodithiol-3-one

2-Mercaptoimidazole 98%

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2-Mercaptoimidazole

assay

≥98%

assay

98%

assay

97%

assay

98%

solubility

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

solubility

methanol: soluble 1 g/10 mL, clear, colorless to very faintly yellow

solubility

toluene: soluble 2.5%, clear, yellow

solubility

methanol: soluble 50 mg/mL, clear to slightly hazy, colorless to yellow

mp

158-160 °C (lit.)

mp

177-179 °C (lit.)

mp

74-77 °C (lit.)

mp

228-231 °C (lit.)

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

General description

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

Application

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

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_germany

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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    Acceptability of thioamides. II. Prothionamide.
    D K Gupta
    Journal of postgraduate medicine, 23(4), 181-185 (1977-10-01)
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    Timely and intensive monitoring for, and management of, adverse effects caused by anti-tuberculosis drugs are essential components of control programs for multidrug-resistant tuberculosis (MDR-TB). This retrospective case series was conducted in northern Taiwan from January 2007 to December 2008 at
    A case of DRESS syndrome induced by the antituberculosis drugs, prothionamide, and para-aminosalycilic acid.
    Joo-Hee Kim et al.
    Annals of allergy, asthma & immunology : official publication of the American College of Allergy, Asthma, & Immunology, 110(2), 118-119 (2013-01-29)

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