ACETYL SULFIDE

The CAS registry number of Ethanethioic acid,1,1'-anhydrosulfide is 3232-39-1. This chemical is also named as Acetic thioanhydride. Its EINECS registry number is 221-774-8. In addition, its molecular formula is C₄H₆O₂S and molecular weight is 118.15. Its IUPAC name is called S-acetyl ethanethioate.

Physical properties about this chemical are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.9; (8)ACD/KOC (pH 7.4): 26.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.469; (13)Molar Refractivity: 28.63 cm³; (14)Molar Volume: 102.7 cm³; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.149 g/cm³; (17)Flash Point: 26.7 °C; (18)Enthalpy of Vaporization: 35.77 kJ/mol; (19)Boiling Point: 119.5 °C at 760 mmHg; (20)Vapour Pressure: 15.9 mmHg at 25°C.

Preparation: this chemical can be prepared by acetyl chloride. This reaction will need reagent Sb₂S₃. The reaction temperature is 300-500 °C.

Uses of Ethanethioic acid,1,1'-anhydrosulfide: it can be used to produce acetyl-chloro-sulfane at temperature of -30 °C. It will need reagent SO₂Cl₂ with reaction time of 30 mins. The yield is about 37 %.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, if swallowed, seek medical advice immediately and show this container or label. Try to keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SC(=O)C)C
(2)InChI: InChI=1/C4H6O2S/c1-3(5)7-4(2)6/h1-2H3
(3)InChIKey: DPCQJLQPDJPRCM-UHFFFAOYAM