Grundinformationen
- Standard-SMILES
Cc1nccs1- InChIKey
VZWOXDYRBDIHMA-UHFFFAOYSA-N- Summenformel
- C4H5NS
- Durchschnittliche Molmasse
- 99,16 g/mol
- Monoisotopische Masse
- 99,01427016
Überblick
2-methyl-Thiazole is a member of thiazoles.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylthiazole
- IUPAC
- 2-methyl-1,3-thiazole
- Lokaler Name
- 2-Methylthiazol
- Englischer Name
- 2-Methylthiazole
- Summenformel
- C4H5NS
- Molmasse
- 99.15
Namen und Synonyme
2-Methylthiazole3581-87-12-Methyl-1,3-thiazoleThiazole, 2-methyl-7G081N1ERPDTXSID20189346RefChem:476285DTXCID50111837222-702-82-methyl-thiazoleMFCD000531442-Methyl thiazole
Weitere Namen anzeigen
AURORA KA-64692-Methylthiazol2-Methyl Thiozolethiazole,2-methyl-2-Methylthiazole>2-METHYLTHIAZOLE 98+%
Thiazole, methyl-methylthiazolUNII-7G081N1ERPEINECS 222-702-8SCHEMBL5507SCHEMBL27971SCHEMBL28185SCHEMBL61842
Datenbank-Bezeichner
- CAS
3581-87-1- PubChem CID
- 77129
- DTXSID
DTXSID20189346- ChEBI
CHEBI:229326- UNII
- 7G081N1ERP
- EC Number
- 222-702-8
- Nikkaji
- J150.255G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 46,8
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesSchoenflies notation
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Schmelzpunkt
- -24 °C · -24 °C
- Siedepunkt
- 129 °C · 129 °C
- Dichte
- 1.11 · 1.11
- Brechungsindex
- 1.519 · 1.5190-1.5230
- Flammpunkt
- 29 °C · 29 °C
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Completely miscible in water
- Aggregatzustand
- liquid
- pka
- 1 · pK1:3.40(+1) (25°C,μ=0.1)
- Farbe
- Colorless to Yellow
- Geruch (Odor)
- 0.1 % · at 0.10 % in propylene glycol. green vegetable
- Geruchsart
- green
- InChI
- 1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
- InChIKey
- VZWOXDYRBDIHMA-UHFFFAOYSA-N
- SMILES
- Cc1nccs1
- LogP
- 0.343 · 0.343 (est)
- CAS Datenbank
- 3581 · 3581-87-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Methylthiazole(3581-87-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (97.7%): Flammable liquid and vapor [Warning 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Thiazole, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- 1993
- hs_code
- 2934100090
- risk_code
- 10-22
- safety_code
- 23-26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Anwendungen
Verwenden2-Methylthiazole is a derivative of thiazole, an anti-tubercular agent.
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