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Thian
Tetrahydro-2H-thiopyran · TETRAHYDROTHIOPYRAN · PENTAMETHYLENE SULFIDE · THIACYCLOHEXANE · Thian · Tetrahydrothiapyran · Thiane · Penthiophane
Identifikatoren & physikalische Daten
| CAS No. | 1613-51-0 |
|---|---|
| Summenformel | C5H10S |
| Durchschnittliche Molmasse | 102,2 g/mol |
| Monoisotopische Masse | 102,05032149 g/mol |
| SMILES | C1CCSCC1 |
| InChIKey | YPWFISCTZQNZAU-UHFFFAOYSA-N |
| PubChem CID | 15367 |
| EC No. | 216-561-1 |
| DTXSID | DTXSID60167108 |
| Lokaler Name | Thian |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 30 |
| Dampfdruck | 8.0 [mmHg] |
| Physical Description | Colorless liquid with an unpleasant odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 880850842860 |
| Schmelzpunkt | 18.99°C |
| Siedepunkt | 140-142°C |
| Dichte | 0,988 g/cm3 |
| Brechungsindex | 1.5060 |
| Flammpunkt | 21°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Not miscible or difficult to mix in water. |
| Aggregatzustand | liquid |
| Wichte | 0.985 |
| Farbe | White or Colorless to Light yellow |
| Spezifische Wärmekapazität | Cp(liquid): 1.6 J/(g·K)Cp(gas): 1.07 J/(g·K), at 25℃ |
| BRN | 102437 |
| Dielektrizitätskonstante | 6.5800000000000001 |
| Stabilität | Volatile |
| LogP (Verteilungskoeffizient) | 2.137 (est) |
| CAS Datenbank | 1613-51-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2H-Thiopyran, tetrahydro-(1613-51-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 2H-Thiopyran, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See Diethyl sulfide and Tetrahydrothiophene. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| UN-Transportnummer | 1993 |
| Zollcode | 2934.99.9001 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16-23-24/25 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
It is a useful 5 c synthon for the synthesis of 3-cyclopentenones. It is a organic sulfide, that has shown to have antioxidant activity.