4-Hydroxylthiocoumarin
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4-Hydroxylthiocoumarin
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CAS No:
16854-67-4
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Formula:
C9H6O2S
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Chemical Name:
4-Hydroxylthiocoumarin
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Synonyms:
4-HYDROXY-2H-THIOCHROMEN-2-ONE;AKOS AU-SVL-37-03;CHEMBRDG-BB 5102960;4-Hydroxy thiocoumarin;4-hydroxy-2H-benzothiopyran-2-one;4-Hydroxythiocoumarin;4-HYDROXYLTHIOCOUMARIN;4-hydroxy-2H-benzothiopyran-2-one,4-hydroxyl-thio-coumarin
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CAS No:
Characteristics
62.6
2.23
1.478±0.06 g/cm3(Predicted)
209 °C(Solv: water (7732-18-5))
304.9±42.0 °C(Predicted)
138.2±27.9 °C
1.726
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-Hydroxylthiocoumarin Use and Manufacturing
The preparation method is that thiophenol, malonic acid and phosphorus oxychloride are heated to reflux for 0.5h in a reaction pot to obtain dithiophenyl malonate, which is cooled, washed with water and washed with 10% sodium hydroxide solution to obtain crystals. The crystal is reacted with anhydrous aluminum trichloride at a temperature of 180-185°C, reacted for 25 minutes, cooled, decomposed with ice water and hydrochloric acid, cooled, filtered, dissolved in a 10% sodium hydroxide solution, and then precipitated with hydrochloric acid to obtain the product.
4-Hydroxy-2H-benzothiopyran-2-one, also known as 4-hydroxy-1-thiocoumarin, is an intermediate of the rodenticide thiamine.
Computed Properties
Molecular Weight:178.21
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:178.00885060
Monoisotopic Mass:178.00885060
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Hydroxylthiocoumarin
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