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20578-45-4

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Basic Information
CAS No.: 20578-45-4
Name: Thiocyanic acid 2-(acetyloxy)ethyl ester
Molecular Structure:
Molecular Structure of 20578-45-4 (Thiocyanic acid 2-(acetyloxy)ethyl ester)
Formula: C5H7NO2S
Molecular Weight: 145.182
Synonyms: Thiocyanicacid, 2-hydroxyethyl ester acetate (ester) (8CI);2-Thiocyanatoethyl acetate;NSC 30541;
Density: 1.19 g/cm3
Boiling Point: 240.7 °C at 760 mmHg
Flash Point: 99.4 °C
PSA: 75.39000
LogP: 0.76378
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    Thiocyanicacid, 2-(acetyloxy)ethyl ester cas 20578-45-4Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Thiocyanicacid, 2-(acetyloxy)ethyl ester, with the CAS registry number 20578-45-4, is also known as Thiocyanic acid 2-(acetyloxy)ethyl ester. This chemical's molecular formula is C5H7NO2S and molecular weight is 145.1796. What's more, its systematic name is called 2-Thiocyanatoethyl acetate.

Physical properties about Thiocyanicacid, 2-(acetyloxy)ethyl ester are: (1) ACD/LogP: 0.70; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 75.39 Å2; (7) Index of Refraction: 1.484; (8) Molar Refractivity: 34.89 cm3; (9)Molar Volume: 121.9 cm3; (10) Surface Tension: 44.4 dyne/cm; (11) Density: 1.19 g/cm3; (12) Flash Point: 99.4 °C; (13) Enthalpy of Vaporization: 47.77 kJ/mol; (14) Boiling Point: 240.7 °C at 760 mmHg; (15) Vapour Pressure: 0.0373 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CSCCOC(=O)C
(2) InChI: InChI=1/C5H7NO2S/c1-5(7)8-2-3-9-4-6/h2-3H2,1H3
(3) InChIKey: XZMHKDXDUWRHNB-UHFFFAOYAH