2-METHOXYETHYL ISOTHIOCYANATE

The Ethane,1-isothiocyanato-2-methoxy-, with CAS registry number 38663-85-3, has the systematic name of 1-isothiocyanato-2-methoxyethane. This chemical is a kind of clear colorless to yellow liquid. And this chemical should be kept cold. And the chemical formula of this chemical is C₄H₇NOS. What's more, its EINECS is 254-070-4.

Physical properties of Ethane,1-isothiocyanato-2-methoxy-: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.1; (6)ACD/BCF (pH 7.4): 3.1; (7)ACD/KOC (pH 5.5): 78.18; (8)ACD/KOC (pH 7.4): 78.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.68 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 32.55 cm³; (15)Molar Volume: 115.4 cm³; (16)Polarizability: 12.9×10^-24cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 59.9 °C; (20)Enthalpy of Vaporization: 39.49 kJ/mol; (21)Boiling Point: 175.4 °C at 760 mmHg; (22)Vapour Pressure: 1.54 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethane,1-isothiocyanato-2-methoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/CCOC
(2)InChI: InChI=1/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3
(3)InChIKey: HTSAVXAFEVUJQE-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3
(5)Std. InChIKey: HTSAVXAFEVUJQE-UHFFFAOYSA-N