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Thiophen-2-thiol
THIOPHENE-2-THIOL · 2-THIOPHENETHIOL · FEMA 3062 · 2-MERCAPTOTHIOPHENE · 2-THIENYL MERCAPTAN · THIOPHENETHIOL · 2-Thienylthiol · 2-THIOPHENTHIOL
Identifikatoren & physikalische Daten
| CAS No. | 7774-74-5 |
|---|---|
| Summenformel | C4H4S2 |
| Durchschnittliche Molmasse | 116,2 g/mol |
| Monoisotopische Masse | 115,97544213 g/mol |
| SMILES | Sc1cccs1 |
| InChIKey | SWEDAZLCYJDAGW-UHFFFAOYSA-N |
| PubChem CID | 522674 |
| ChEBI | CHEBI:185433 |
| EC No. | 231-881-1 |
| DTXSID | DTXSID40228362 |
| Lokaler Name | Thiophen-2-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 44,8 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.250-1.2551.252 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Very slightly soluble in waterMiscible at room temperature (in ethanol)soluble in Chloroform, DMSO |
| Siedepunkt | 166.00 °C. @ 760.00 mm Hg166 °C129 °C(lit.) |
| Brechungsindex | 1.618-1.622n20/D 1.62(lit.) |
| Physical Description | LiquidOily, colourless to orange liquidpowerful, sulferaceous, burnt-caramel, roasted-coffee odour |
| FEMA | 3062 | 2-THIENYL MERCAPTAN |
| Flammpunkt | 150 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 6.38±0.43(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Brown |
| Geruch | at 0.10 % in dipropylene glycol. burnt caramel roasted coffee |
| Geruchsart | caramellic |
| JECFA Number | 1052 |
| BRN | 104650 |
| InChIKey | SWEDAZLCYJDAGW-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 2.20 |
| CAS Datenbank | 7774-74-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiophenethiol(7774-74-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1423) of reports.WarningH302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1423 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-ThiophenethiolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/260752-Thiophenethiol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (96.3%) |
| F | 10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3334 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-36/38-21/22-20/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
Herstellung & Synthese
synthetische
By heating sodium sulfosuccinate with phosphorous trichloride; also by reduction of thiophene-2-sulfonyl chloride.