Reported in EPA TSCA Inventory.

The 4-Pyridinecarbothioamide, with the CAS registry number 2196-13-6, is also known as Thioisonicotinamide. Its EINECS registry number is 218-592-6. This chemical's molecular formula is C₆H₆N₂S and molecular weight is 138.19. What's more, its IUPAC name is called Pyridine-4-carbothioamide. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 4-Pyridinecarbothioamide are: (1)ACD/LogP: 0.23±0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 31.62; (8)ACD/KOC (pH 7.4): 31.73; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 40.5±0.3 cm³; (15)Molar Volume: 109.2±3.0 cm³; (16)Polarizability: 16.1±0.5×10^-24cm³ ; (17)Surface Tension: 71.2±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm³; (19)Flash Point: 122.5±25.1 °C; (20)Enthalpy of Vaporization: 51.8±3.0 kJ/mol; (21)Boiling Point: 278.9±32.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.6 mmHg at 25 °C.

Preparation of 4-Pyridinecarbothioamide: this chemical can be prepared by isonicotinonitrile. This reaction needs reagents BF₃*OEt₂, thiolacetic acid and solvent 1,2-dichloro-ethane at ambient temperature. The yield is 94 %.

Uses of 4-Pyridinecarbothioamide: it is used to produce other chemicals. For example, it can react with furan to get furan-3-yl-pyridin-4-yl-methanone. The reaction occurs with solvent benzene and other condition of irradiation for 10 hours. The yield is 31 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. This chemical is irritating to eyes, respiratory system and skin. In addition, it may cause sensitisation by inhalation and skin contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cnccc1C(=S)N
(2) InChI: InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
(3) InChIKey: KPIIGXWUNXGGCP-UHFFFAOYSA-N

The toxicity data is as follows: