Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 4-Hydroxylthiocoumarin

4-Hydroxylthiocoumarin

4-Hydroxylthiocoumarin structure

4-Hydroxylthiocoumarin 

structure
  • CAS No:

    16854-67-4

  • Formula:

    C9H6O2S

  • Chemical Name:

    4-Hydroxylthiocoumarin

  • 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

  • Categories:

    Agrochemicals  >  Pesticide Intermediates

4-Hydroxylthiocoumarin Basic Attributes

178.21

178.008850

2932209090

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

Methods of 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.

Uses

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

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.