Carbon(isothiocyanatidic)acid, ethyl ester (16182-04-0)

The Ethoxycarbonyl isothiocyanate with cas registry number of 16182-04-0 is light yellow oil. It is sensitive to moisture and lachrymatory. This chemical is a kind of miscellaneous reagents. Its IUPAC name is called ethyl N-(sulfanylidenemethylidene)carbamate. And its systematic name is called ethyl carbonisothiocyanatidate. It has an EINECS registry number which is called 240-318-9. It should be stored at temperature of  2-8°C.

The physical properties about this chemical are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.62; (6)ACD/BCF (pH 7.4): 20.62; (7)ACD/KOC (pH 5.5): 303.67; (8)ACD/KOC (pH 7.4): 303.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 33.41 cm³; (14)Molar Volume: 112.8 cm³; (15)Surface Tension: 35 dyne/cm; (16)Density: 1.16 g/cm³; (17)Flash Point: 50.6 °C; (18)Enthalpy of Vaporization: 39.2 kJ/mol; (19)Boiling Point: 155.3 °C at 760 mmHg; (20)Vapour Pressure: 3.05 mmHg at 25°C ; (21)Refractive index: 1.500.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation which may cause sensitization. It is also irritating to eyes, respiratory system and skin. Therefore, when you are using it, it is better to wear suitable protective clothing, gloves and eye/face protection and do not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)/N=C=S;
(2)InChI: InChI=1/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3;
(3)InChIKey: BDTDECDAHYOJRO-UHFFFAOYAF