Acetic thioanhydride

HCID 76708

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Basic information

CAS: 3232-39-1
Standard SMILES: CC(=O)SC(C)=O
InChIKey: DPCQJLQPDJPRCM-UHFFFAOYSA-N
Molecular formula: C4H6O2S
Average molar mass: 118.16 g/mol
Monoisotopic mass: 118.0088506

Names & identifiers

Preferred name: Acetic thioanhydride
IUPAC: S-acetyl ethanethioate
English name: ACETYL SULFIDE
Molecular formula: C4H6O2S
Molecular weight: 118.15

Names & synonyms

Acetic thioanhydrideEthanethioic acid, anhydrosulfideEINECS 221-774-8DTXSID80186058NSC 5133RefChem:552356DTXCID90108549221-774-8Acetyl sulfide3232-39-1Diacetyl SulfideS-acetyl ethanethioate

Show more names

(CH3CO)2SAcetylSulfide>S-acetyl ethanethioateS-ethanoyl ethanethioatecontainsca5%aceticanhydride

Racecadotril Impurity SDiacetyl sulphideMFCD000087531-(acetylsulfanyl)ethan-1-one1,1'-Thiobis-(ethane-1-one)NSC-5133ACETYLSULFIDEdiacetylsulfide

Database identifiers

CAS: 3232-39-1
PubChem CID: 76708
DTXSID: DTXSID80186058
UNII: 27W3N6DYV7
EC Number: 221-774-8
Nikkaji: J80.666H

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 85.9

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 140 · 140-142 °C(Solv: methanol (67-56-1))
Boiling point: 120 °C · 120 °C
Density: 1 · 1,13 g/cm3
refractive index: 1.481 · 1.4810-1.4840
Flash point: 26 °C · 26°C
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow
CAS DataBase Reference: 3232 · 3232-39-1
FDA UNII: 27 W3N6DYV7 · 27W3N6DYV7
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (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.

Hazard information

Regulatory InformationEthanethioic acid, anhydrosulfide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 2930909899
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36-46
hazard_class: 3.2
packing_group: III
Hazard statements: H226-H315-H319
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

Chemistry & industry

Applications

UsesAcetyl 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.

Suppliers32 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

绍兴恒创合益生物科技有限公司15158234258 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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Compound notes

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