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3232-39-1

Basic Information
CAS No.: 3232-39-1
Name: ACETYL SULFIDE
Article Data: 37
Molecular Structure:
Molecular Structure of 3232-39-1 (ACETYL SULFIDE)
Formula: C4H6O2S
Molecular Weight: 118.156
Synonyms: Acetic acid,thio-, anhydrosulfide (6CI,7CI,8CI);Ethanethioic acid, anhydrosulfide (9CI);Acetic thioanhydride;Acetyl sulfide;Diacetyl sulfide;NSC 5133;Thioaceticanhydride;
EINECS: 221-774-8
Density: 1.149 g/cm3
Melting Point: 140-142 °C(Solv: methanol (67-56-1))
Boiling Point: 119.5 °C at 760 mmHg
Flash Point: 26.7 °C
Hazard Symbols: Xi
Risk Codes: 10-36/37/38
Safety: 16-26-36-46
PSA: 59.44000
LogP: 0.81260
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Specification

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.

Ethanethioic acid,1,1'-anhydrosulfide can be prepared by acetyl chloride

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 %.

Ethanethioic acid,1,1'-anhydrosulfide can be used to produce acetyl-chloro-sulfane

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