HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
S-Phenylbenzolthiosulfonat
Phenylbenzenethiosulfonate · NSC74657 · Phenylphenylthiosulfone · S- phenylthiophenylsulfone · S-PHENYL BENZENETHIOSULFATE · (phenylthio)sulfonylbenzene · phenylsulfanylsulfonylbenzene · S-PHENYL BENZENETHIOSULFONATE
Identifikatoren & physikalische Daten
| CAS No. | 1212-08-4 |
|---|---|
| Summenformel | C12H10O2S2 |
| Durchschnittliche Molmasse | 250,3 g/mol |
| Monoisotopische Masse | 250,0122219 g/mol |
| SMILES | O=S(=O)(Sc1ccccc1)c1ccccc1 |
| InChIKey | ATKJLMWDXASAJA-UHFFFAOYSA-N |
| PubChem CID | 71031 |
| ChEMBL | CHEMBL120236 |
| EC No. | 214-919-1 |
| DTXSID | DTXSID9074480 |
| Lokaler Name | S-Phenylbenzolthiosulfonat |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 293 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 36-53 °C(lit.) |
| Siedepunkt | 125 °C(Press: 0.01 Torr) |
| Dichte | 1.35±0.1 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| BRN | 1530592 |
| InChI | 1S/C12H10O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H |
| InChIKey | ATKJLMWDXASAJA-UHFFFAOYSA-N |
| SMILES | O=S(=O)(Sc1ccccc1)c2ccccc2 |
| EPA chemische Informationen | Benzenesulfonothioic acid, S-phenyl ester (1212-08-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
S-Phenyl Benzenethiosulfonate is an high potency antifungal thiosulfonate that were tested against Aspergillus niger and Aspergillus flavus.
Herstellung & Synthese
synthetische
BENZENETHIOSULFONIC ACID S-PHENYL ESTER can be prepared by oxidation of Diphenyl Disulfide with 30% Hydrogen Peroxide (72%).