2-AMINO-THIOBENZAMIDE

The 2-Aminothiobenzamide, with the CAS registry number 2454-39-9, is also known as 2-Aminobenzene-1-carbothioamide. This chemical's molecular formula is C₇H₈N₂S and molecular weight is 152.22. Its IUPAC name and systematic name are the same which is called 2-aminobenzenecarbothioamide. This chemical is light yellow to yellow crystalline powder.

Physical properties of 2-Aminothiobenzamide: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.32; (5)ACD/BCF (pH 7.4): 3.32; (6)ACD/KOC (pH 5.5): 82.08; (7)ACD/KOC (pH 7.4): 82.12; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.719; (12)Molar Refractivity: 46.67 cm³; (13)Molar Volume: 118.2 cm³; (14)Surface Tension: 75.8 dyne/cm; (15)Density: 1.286 g/cm³; (16)Melting Poing: 120 °C; (17)Flash Point: 146.6 °C; (18)Enthalpy of Vaporization: 56.03 kJ/mol; (19)Boiling Point: 318.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000353 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-benzonitrile. This reaction will need reagent alcohol, ammonia, hydrogen sulfide. The reaction temperature is 100 ℃.

Uses of 2-Aminothiobenzamide: it can be heated to produce 2-trifluoromethyl-3H-quinazoline-4-thione. This reaction will need reagent molecular sieves and solvent CHCl₃ with reaction time of 2 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=S)N)N
(2)InChI: InChI=1S/C7H8N2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
(3)InChIKey: HPZKAJRFABCGFF-UHFFFAOYSA-N