2-TETRAHYDROFURFURYL ISOTHIOCYANATE

The Furan,tetrahydro-2-(isothiocyanatomethyl)- is an organic compound with the formula C₆H₉NOS. The IUPAC name of this chemical is 2-(isothiocyanatomethyl)oxolane. With the CAS registry number 36810-87-4, it is also named as 2-Tetrahydrofurfuryl isothiocyanate.

Physical properties about Furan,tetrahydro-2-(isothiocyanatomethyl)- are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.95; (3)ACD/LogD (pH 7.4): 0.95; (4)ACD/BCF (pH 5.5): 3.08; (5)ACD/BCF (pH 7.4): 3.08; (6)ACD/KOC (pH 5.5): 77.83; (7)ACD/KOC (pH 7.4): 77.83; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 53.68 Å²; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 39.41 cm³; (13)Molar Volume: 120.2 cm³; (14)Polarizability: 15.62×10^-24cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.19 g/cm³; (17)Flash Point: 107.2 °C; (18)Enthalpy of Vaporization: 47.12 kJ/mol; (19)Boiling Point: 253.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0288 mmHg at 25°C.

Uses of Furan,tetrahydro-2-(isothiocyanatomethyl)-: it can be used to produce 3-(biphenyl-2-ylmethylsulfanyl)-5-furan-2-yl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazole at temperature of 20 - 50 °C. It will need reagent polymer-bound perhydro-1,3,2-diazaphosphorine derivative and solvent dimethylformamide, dioxane, H₂O, acetonitrile with reaction time of 20 hours. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N\CC1OCCC1
(2)InChI: InChI=1/C6H9NOS/c9-5-7-4-6-2-1-3-8-6/h6H,1-4H2
(3)InChIKey: CSFIFTGMGITVRE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H9NOS/c9-5-7-4-6-2-1-3-8-6/h6H,1-4H2
(5)Std. InChIKey: CSFIFTGMGITVRE-UHFFFAOYSA-N