4-(2-FLUOROPHENYL)-3-THIOSEMICARBAZIDE

The Hydrazinecarbothioamide,N-(2-fluorophenyl)-, with CAS registry number 38985-72-7, has the systematic name of N-(2-fluorophenyl)hydrazinecarbothioamide. Besides this, it is also called 4-(2-Fluorophenyl)-3-thiosemicarbazide. And the chemical formula of this chemical is C₇H₈FN₃S.

Physical properties of Hydrazinecarbothioamide,N-(2-fluorophenyl)-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.83; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 73.28; (8)ACD/KOC (pH 7.4): 72.74; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 50.27 cm³; (15)Molar Volume: 130.5 cm³; (16)Polarizability: 19.93×10^-24cm³; (17)Surface Tension: 69.3 dyne/cm; (18)Density: 1.418 g/cm³; (19)Flash Point: 122 °C; (20)Enthalpy of Vaporization: 51.68 kJ/mol; (21)Boiling Point: 278.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00433 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Hydrazinecarbothioamide,N-(2-fluorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccccc1F)NN
(2)InChI: InChI=1/C7H8FN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
(3)InChIKey: TWFLAERJMLKDNL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H8FN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
(5)Std. InChIKey: TWFLAERJMLKDNL-UHFFFAOYSA-N