Molecular Structure of 4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine (CAS No.368-54-7):
 
Molecular Formula: C₅H₃F₃N₂OS
Molecular Weight: 196.1503
CAS No: 368-54-7
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 55.64 Å²
Index of Refraction: 1.54
Molar Refractivity: 37.72 cm³
Molar Volume: 120.2 cm³
Surface Tension: 48 dyne/cm
Density: 1.63 g/cm³
Flash Point: 150.7 °C
Enthalpy of Vaporization: 59.03 kJ/mol
Boiling Point: 325.6 °C at 760 mmHg
Vapour Pressure: 0.00012 mmHg at 25°C
IUPAC Name: 2-Sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one 
InChI: InChI=1/C₅H₃F₃N₂OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
InChIKey: YZAOETRYQWFEOY-UHFFFAOYAD
Std. InChI: InChI=1S/C₅H₃F₃N₂OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
Std. InChIKey: YZAOETRYQWFEOY-UHFFFAOYSA-N
Product Categories: APIs Intermediate;Pyrimidine;Building Blocks;Heterocyclic Building Blocks;Pyrimidines

Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

   4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine (CAS No.368-54-7), its synonyms are 6-(Trifluoromethyl)-2-thiouracil ; 6-Hydroxy-2-mercapto-4-trifluoromethylpyrimidine ; 2(1H)-pyrimidinethione, 4-hydroxy-6-(trifluoromethyl)- ; 2-Sulfanyl-6-(trifluoromethyl)pyrimidin-4-ol ; 4(3H)-pyrimidinone, 2-mercapto-6-(trifluoromethyl)- ; 4-Pyrimidinol, 2-mercapto-6-(trifluoromethyl)- ; 2-Sulfanyl-6-(trifluoromethyl)pyrimidin-4(3H)-one ; 3,5-Diaminobenzotrifluoride  .