5-(1,1-Dimethylethyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

3-tert-butyl-5-mercapto-1, 2, 4-triazole is prepared from trimethyl acetyl chloride and thiosemicarbazide as raw materials. Add 144 kg of 95% thiosemicarbazide, 1050 kg of tetrahydrofuran and 203 kg of 95% trimethyl acetyl chloride into a 2000L reactor, add 165 kg of 30% sodium hydroxide below 40°C under stirring, and keep it warm for 4 hours after the addition. While adding 600kg of 20% sodium hydroxide, distilling out tetrahydrofuran at 80°C, keeping it for 4h, cooling down, adding 450kg of 30% hydrochloric acid to acidify below 20°C, and filtering to obtain triazole.

3-tert-butyl-5-mercapto-1,2,4-triazole is abbreviated as triazole, which is an intermediate for the preparation of carbamate insecticide zoprocarb.

Molecular Weight:157.24
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:157.06736854
Monoisotopic Mass:157.06736854
Topological Polar Surface Area:68.5
Heavy Atom Count:10
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes