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质量水平
方案
≥98%
mp
158-160 °C (lit.)
溶解性
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字符串
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
一般描述
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.
应用
6-Hydroxy-1,3-benzoxathiol-2-one was used in the synthesis of heterocycle-phosphor esters having potential antimicrobial activity.
警示用语：
Warning
危险分类
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
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
Contact dermatitis from thioxolone.
F Villas Martinez et al.
Contact dermatitis, 29(2), 96-96 (1993-08-01)
Maureen Byres et al.
Acta crystallographica. Section C, Crystal structure communications, 60(Pt 6), o395-o396 (2004-06-05)
The planar molecules of 6-hydroxy-1,3-benzoxathiol-2-one, C(7)H(4)O(3)S, are linked by extensive O-H.O and C-H.O hydrogen bonding and are further stablilized by face-to-face pi-pi interactions.
Keith Miller et al.
The Journal of antimicrobial chemotherapy, 65(12), 2566-2573 (2010-09-24)
We sought to identify and characterize new inhibitors of MurA and MurZ, which are enzymes involved in the early stages of bacterial peptidoglycan synthesis. A library of ∼650 000 compounds was screened for inhibitors of Escherichia coli MurA in an endpoint
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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