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2-Thiobarbituric Acid

2-Thiobarbituric Acid / CAS : 504-17-6

Appearance White to off white crystalline powder UN 3335
HS 29335990 DG Class 9
Synonyms Thiobarbituric Acid; Bathyran; Austranal; 4,6(1H,5H)-Pyrimidinedione, Dihydro-2-Thioxo-; 4,6-Dihydroxy-2-Thiopyrimidine; 2-Thioxodihydropyrimidine-4,6(1H,5H)-Dione; 2-Thio-4,6-Dioxypyrimidine; 2-Mercaptobarbituric Acid; Barbituric Acid, 2-Thio-; Thiobarbiturate; Thiobarbituric; Dihydro-2-Thioxo-4,6(1H,5H)-Pyrimidinedione; Unii-M1Yzw5Ss7C; 2-Sulfanylidene-1,3-Diazinane-4,6-Dione; 4,6(1H,5H)-Pyrimidinedione, 2-Mercapto-; 2-Sulfanylidenedihydropyrimidine-4,6(1H,5H)-Dione; 2-Mercapto-4,6-Dihydroxypyrimidine (Van); 2-Thioxohexahydropyrimidine-4,6-Dione
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Properties

Summary

Formula
C4H4N2O2S
Molecular Mass
144.15200
Exact Mass
143.99900
PSA
90.29000
Logp
-0.43500
IUPAC
2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES
C1C(=O)NC(=S)NC1=O

Attribute classification

Matter Classification
organic
Category
Auxiliary > Other Auxiliary Agent
Agrochemicals > Pesticide Intermediates

Chemical and Physical Properties

Melting Point
245 °C (dec.)(lit.)
Density
1.69 g/cm3
Boiling Point
463.4 ºC
Flash Point
234 ºC
Appearance
White to off white crystalline powder
Acidity and Basicity
alkalinity

Export information

HS Code
29335990
Export Rebate
13%
UN No.
3335
DG-Class
9
Risk Code
R36/37/38
Safety Label
Xi

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