N,N'-DIHEXYLTHIOUREA

The Thiourea, N,N'-dihexyl-, with CAS registry number 21071-28-3, has the systematic name of 1,3-dihexylthiourea. Besides this, it is also called N,N'-Dihexylthiourea. And the chemical formula of this chemical is C₁₃H₂₈N₂S. What's more, its EINECS is 244-191-0.

Physical properties of Thiourea, N,N'-dihexyl-: (1)ACD/LogP: 4.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.97; (4)ACD/LogD (pH 7.4): 4.97; (5)ACD/BCF (pH 5.5): 3509.33; (6)ACD/BCF (pH 7.4): 3509.45; (7)ACD/KOC (pH 5.5): 12002.23; (8)ACD/KOC (pH 7.4): 12002.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 76.75 cm³; (15)Molar Volume: 265.7 cm³; (16)Polarizability: 30.42×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 0.919 g/cm³; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 56.39 kJ/mol; (21)Boiling Point: 322.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000286 mmHg at 25°C.

Preparation: this chemical can be prepared by hexylamine and hexyl isothiocyanate. This reaction will need solvent H₂O.

When you are using this chemical, please be cautious about it as the following:
The Thiourea, N,N'-dihexyl- is harmful if swallowed. When use this chemical, do not breathe dust and wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NCCCCCC)NCCCCCC
(2)InChI: InChI=1/C13H28N2S/c1-3-5-7-9-11-14-13(16)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H2,14,15,16)
(3)InChIKey: CYYJFWJNIQDCLT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H28N2S/c1-3-5-7-9-11-14-13(16)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H2,14,15,16)
(5)Std. InChIKey: CYYJFWJNIQDCLT-UHFFFAOYSA-N