Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(5-Fluoro-2-methyl-phenyl)thiourea |
EINECS | N/A |
CAS No. | 16822-86-9 | Density | 1.334 g/cm3 |
PSA | 70.14000 | LogP | 2.56290 |
Solubility | N/A | Melting Point |
120 °C |
Formula | C8H9FN2S | Boiling Point | 268.4 °C at 760 mmHg |
Molecular Weight | 184.237 | Flash Point | 116.1 °C |
Transport Information | UN 2811 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(5-Fluoro-2-methylphenyl)thiourea; |
Article Data | 3 |
The (5-Fluoro-2-methyl-phenyl)thiourea, with the CAS registry number of 16822-86-9, is also known as N-(5-Fluoro-2-methylphenyl)thiourea. This chemical's molecular formula is C8H9FN2S and molecular weight is 184.23. What's more, its systematic name is 1-(5-Fluoro-2-methylphenyl)thiourea.
Physical properties about (5-Fluoro-2-methyl-phenyl)thiourea are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.08; (6)ACD/BCF (pH 7.4): 11.08; (7)ACD/KOC (pH 5.5): 194.61; (8)ACD/KOC (pH 7.4): 194.61; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 138 cm3; (16)Polarizability: 20.41×10-24 cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 116.1 °C; (20)Enthalpy of Vaporization: 50.64 kJ/mol; (21)Boiling Point: 268.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00772 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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(Nc1cc(F)ccc1C)N
(2) InChI: InChI=1/C8H9FN2S/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
(3) InChIKey: NZTMKTPFNGHTJG-UHFFFAOYAD