HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetic thioanhydride
Diacetyl sulphide · Acetic thioanhydride · (CH3CO)2S · ACETYL SULFIDE · DIACETYL SULFIDE · AcetylSulfide>S-acetyl ethanethioate · Racecadotril Impurity S · S-ethanoyl ethanethioate
Identifiers & Physical Properties
| CAS No. | 3232-39-1 |
|---|---|
| Molecular formula | C4H6O2S |
| Average molar mass | 118.16 g/mol |
| Monoisotopic mass | 118.0088506 g/mol |
| SMILES | CC(=O)SC(C)=O |
| InChIKey | DPCQJLQPDJPRCM-UHFFFAOYSA-N |
| PubChem CID | 76708 |
| EC No. | 221-774-8 |
| DTXSID | DTXSID80186058 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 59.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 85.9 |
| SpringerMaterials Properties | Schoenflies notation |
| Melting point | 140-142 °C(Solv: methanol (67-56-1)) |
| Boiling point | 120 °C |
| Density | 1,13 g/cm3 |
| Refractive index | 1.4810-1.4840 |
| Flash point | 26°C |
| Storage conditions | 2-8°C |
| Physical state | clear liquid |
| Color | Colorless to Light yellow |
| CAS DataBase Reference | 3232-39-1 |
| FDA UNII | 27W3N6DYV7 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319 |
| GHS precautionary statements | P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 |
| Hazard symbols | Xi |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 16-26-36-46 |
| UN transport number | 1993 |
| Hazard class | 3.2 |
| Packing group | III |
| Customs code | 2930909899 |
Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Ethanethioic acid, anhydrosulfide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN transport number | 1993 |
| Customs code | 2930909899 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 16-26-36-46 |
| Hazard class | 3.2 |
| Packing group | III |
| GHS hazard statements | H226-H315-H319 |
| GHS precautionary statements | P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 |
Applications & Uses
Uses
Acetyl Sulfide is used in the purification of alkylolamides, a substance used in elucidating the chemical constituents of fruiting bodies from basidiomycetes suillus granulatus and their anti-HIV-1 activity.