2-(Methylthio)thiazole
Grundinformationen
- CAS
5053-24-7- Standard-SMILES
CSc1nccs1- InChIKey
VQNOAXZUEKPSJC-UHFFFAOYSA-N- Summenformel
- C4H5NS2
- Durchschnittliche Molmasse
- 131,2 g/mol
- Monoisotopische Masse
- 130,98634151
Namen und Bezeichner
- Bevorzugter Name
- 2-(Methylthio)thiazole
- IUPAC
- 2-methylsulfanyl-1,3-thiazole
- Englischer Name
- 2-(Methylthio)thiazole
- Summenformel
- C4H5NS2
- Molmasse
- 131.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5053-24-7- PubChem CID
- 2760100
- DTXSID
DTXSID60375024- EC Number
- 627-589-2
- Nikkaji
- J149.387F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 57
Physikochemische Eigenschaften
- Schmelzpunkt
- 132 °C · 132 °C
- Siedepunkt
- 205 · 205-207 °C (lit.)
- Dichte
- 1.271 g/mL · 1.271 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.6080(lit.)
- Flammpunkt
- 195 °F · 195 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 2.42 · 2.42±0.10(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- InChI
- 1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3
- InChIKey
- VQNOAXZUEKPSJC-UHFFFAOYSA-N
- SMILES
- CSc1nccs1
- LogP
- 1.558 · 1.558 (est)
- CAS Datenbank
- 5053 · 5053-24-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Methylthiothiazole may be used for the preparation of 1-(2-methylthio-5-thiazolyl)ethanol.
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