The Thiourea,N-(2,5-difluorophenyl)-, with the CAS registry number 207981-44-0, is also known as 1-(2,5-Difluorophenyl)-2-thiourea. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thioureas. This chemical's molecular formula is C7H6F2N2S and molecular weight is 188.2. What's more, its systematic name is called 1-(2,5-Difluorophenyl)thiourea.
Physical properties about Thiourea,N-(2,5-difluorophenyl)- are: (1) ACD/LogP: 1.25; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.25; (4) ACD/LogD (pH 7.4): 1.25; (5) ACD/BCF (pH 5.5): 5.24; (6) ACD/BCF (pH 7.4): 5.24; (7) ACD/KOC (pH 5.5): 113.9; (8) ACD/KOC (pH 7.4): 113.86; (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: 1.663; (14) Molar Refractivity: 46.67 cm3; (15) Molar Volume: 125.9 cm3; (16) Surface Tension: 63.7 dyne/cm; (17) Density: 1.493 g/cm3; (18) Flash Point: 104.1 °C; (19) Enthalpy of Vaporization: 48.57 kJ/mol; (20) Boiling Point: 248.6 °C at 760 mmHg; (21) Vapour Pressure: 0.0241 mmHg at 25 °C; (22) Melting Point: 140-144 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed and it may cause damage to health. 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: S=C(Nc1cc(F)ccc1F)N
(2) InChI: InChI=1/C7H6F2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
(3) InChIKey: JBWSNSWRTOFDBM-UHFFFAOYAZ
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