CYCLOPROPYL ISOTHIOCYANATE

The CAS register number of Cyclopropyl isothiocyanate is 56601-42-4. It also can be called as Cyclopropane,isothiocyanato- and the systematic name about this chemical is isothiocyanatocyclopropane. The molecular formula about this chemical is C₄H₅NS and the molecular weight is 99.15. It belongs to the Ring Systems.

Physical properties about Cyclopropyl isothiocyanate are: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.31; (4)ACD/BCF (pH 5.5): 5.78; (5)ACD/BCF (pH 7.4): 5.78; (6)ACD/KOC (pH 5.5): 122.22; (7)ACD/KOC (pH 7.4): 122.22; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.45Ų; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 28.8 cm³; (13)Molar Volume: 81.1 cm³; (14)Polarizability: 11.41x10^-24cm³; (15)Surface Tension: 38.7 dyne/cm; (16)Flash Point: 43.9 °C; (17)Enthalpy of Vaporization: 38.29 kJ/mol; (18)Boiling Point: 162.8 °C at 760 mmHg; (19)Vapour Pressure: 2.78 mmHg at 25°C.

Uses of Cyclopropyl isothiocyanate: it can be used to produce Phenyl N-cyclopropyliminomercaptothioformate with benzenethiol at temperature of 0 ℃. The reaction time is 20 min. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation and if swallowed. It is flammable and this chemical can cause burns. If you want to use this chemical, please keep away from sources of ignition. When you are using it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately with plenty of soap-suds. In case of insufficient ventilation, please wear suitable respiratory equipment. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/C1CC1
(2)InChI: InChI=1/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2
(3)InChIKey: JGFBQFKZKSSODQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2
(5)Std. InChIKey: JGFBQFKZKSSODQ-UHFFFAOYSA-N