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4991-65-5,MFCD00005859
Catalog No.:AA003N5U

4991-65-5 | 6-Hydroxy-1,3-benzoxathiol-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$6.00   $4.00
- +
250mg
98%
in stock  
$7.00   $5.00
- +
1g
95%
in stock  
$20.00   $14.00
- +
5g
98%
in stock  
$43.00   $30.00
- +
25g
98%
in stock  
$129.00   $90.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003N5U
Chemical Name:
6-Hydroxy-1,3-benzoxathiol-2-one
CAS Number:
4991-65-5
Molecular Formula:
C7H4O3S
Molecular Weight:
168.1699
MDL Number:
MFCD00005859
SMILES:
Oc1ccc2c(c1)oc(=O)s2
NSC Number:
758240
Properties
Properties
 
BP:
377.8°C at 760 mmHg  
Form:
Solid  
MP:
158-160 °C(lit.);  
Refractive Index:
1.5151 (estimate)  
Solubility:
95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.9  

Literature

Title: Benzothioxalone derivatives as novel inhibitors of UDP-N-acetylglucosamine enolpyruvyl transferases (MurA and MurZ).

Journal: The Journal of antimicrobial chemotherapy 20101201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Carbonic anhydrase inhibitors: thioxolone versus sulfonamides for obtaining isozyme-selective inhibitors?

Journal: Bioorganic & medicinal chemistry letters 20080715

Title: Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study.

Journal: Biochemistry 20080311

Title: Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds.

Journal: Journal of biomolecular screening 20061001

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone).

Journal: Acta crystallographica. Section C, Crystal structure communications 20040601

Title: Maryam Hakimi Parizi, et al. Tioxolone niosomes exert antileishmanial effects on Leishmania tropica by promoting promastigote apoptosis and immunomodulation. Asian Pacific Journal of Tropical Medicine 2019; 12(8): 365-374.

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