5-Ethyl-4-methylthiazole
Basic information
- CAS
31883-01-9- Standard SMILES
CCc1scnc1C- InChIKey
XPQULTFBJPGINB-UHFFFAOYSA-N- Molecular formula
- C6H9NS
- Average molar mass
- 127.21 g/mol
- Monoisotopic mass
- 127.04557046
Overview
5-Ethyl-4-methylthiazole is a member of thiazoles.
Names & identifiers
- Preferred name
- 5-Ethyl-4-methylthiazole
- IUPAC
- 5-ethyl-4-methyl-1,3-thiazole
- English name
- 5-ethyl-4-methylthiazole
- Molecular formula
- C6H9NS
- Molecular weight
- 127.21
Names & synonyms
5-Ethyl-4-methylthiazole5-Ethyl-4-methyl-1,3-thiazole4-Methyl-5-ethylthiazoleEINECS 250-852-4Thiazole, 4-methyl-5-ethylThiazole, 5-ethyl-4-methyl-UNII-4M216HR0184M216HR018DTXSID00953789RefChem:102565DTXCID901018061250-852-4
Show more names
XPQULTFBJPGINB-UHFFFAOYSA-N31883-01-95-Ethyl-4-methyl-thiazoleMFCD09834442CHEMBL3275138SCHEMBL290723SCHEMBL290724SCHEMBL290725
Database identifiers
- CAS
31883-01-9- PubChem CID
- 40380
- DTXSID
DTXSID00953789- ChEMBL
CHEMBL3275138- ChEBI
CHEBI:178614- UNII
- 4M216HR018
- EC Number
- 250-852-4
- Nikkaji
- J108.862I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Physicochemical properties
- Boiling point
- 181 °C · 181°C (estimate)
- Density
- 1.042 · 1.042 (estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.56 · 3.56±0.10(Predicted)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. nut green earthy
- Odor Type
- nutty
- LogP
- 1.694 · 1.694 (est)
- FDA UNII
- 4 M216HR018 · 4M216HR018
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 5-Ethyl-4-methylthiazole is a member of thiazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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