Thiophene-2-thiocarboxamide

The Thiophene-2-thiocarboxamide , with the CAS registry number 20300-02-1, is also known as Thiophene-2-carbothioic acid amide. This chemical's molecular formula is C₅H₅NS₂ and molecular weight is 143.23. What's more, its systematic name is called Thiophene-2-carbothioamide. It should be kept in a cold, airtight and dry place.

Physical properties about Thiophene-2-thiocarboxamide are: (1) ACD/LogP: 1.34; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 1; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 1; (10) Polar Surface Area: 63.57 Å²; (11) Index of Refraction: 1.701; (12) Molar Refractivity: 40.82 cm³; (13) Molar Volume: 105.4 cm³; (14) Surface Tension: 71.1 dyne/cm; (15) Density: 1.357 g/cm³; (16) Flash Point: 110.7 °C; (17) Enthalpy of Vaporization: 49.71 kJ/mol; (18) Boiling Point: 259.5 °C at 760 mmHg; (19) Vapour Pressure: 0.0129 mmHg at 25 °C; (20) Melting Point: 106 °C.

Uses of Thiophene-2-thiocarboxamide : it is used to produce other chemicals. For example, it is used to produce 3-Furyl 2-thienyl ketone. The reaction occurs with reagent Benzene and other condition of irradiation for 10 hours. The yield is 44 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it is toxic if swallowed. The gas of this chemical can not be breathed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N)c1sccc1
(2) InChI: InChI=1/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
(3) InChIKey: HDXYHAPUCGQOBX-UHFFFAOYAW