Ethyl thiazole-5-carboxylate
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Basic information
- CAS
32955-22-9- Standard SMILES
CCOC(=O)c1cncs1- InChIKey
CIPMPQGRFNDLAP-UHFFFAOYSA-N- Molecular formula
- C6H7NO2S
- Average molar mass
- 157.19 g/mol
- Monoisotopic mass
- 157.01974946
Names & identifiers
- Preferred name
- Ethyl thiazole-5-carboxylate
- IUPAC
- ethyl 1,3-thiazole-5-carboxylate
- English name
- Ethyl thiazole-5-carboxylate
- Molecular formula
- C6H7NO2S
- Molecular weight
- 157.19
Names & synonyms
Ethyl thiazole-5-carboxylate32955-22-9DTXSID30332604RefChem:345012DTXCID80283697Ethyl 5-thiazolecarboxylateethyl 1,3-thiazole-5-carboxylateMFCD062050695-Thiazolecarboxylic acid ethyl ester5-Thiazolecarboxylic acid, ethyl ester5-(Carbethoxy)thiazole5-(Ethoxycarbonyl)thiazole
Show more names
RARECHEM AL BI 1261thyl thiazole-5-carboxylate5-(Ethoxycarbonyl)-1,3-thiazoleEthyl 1,3-thiazole-5-carboxylate 98%Thiazole-5-carboxylic acid ethyl ester
Ethyl Thiazol-5-carboxylateSCHEMBL290564SCHEMBL969584Ethyl1,3-thiazole-5-carboxylateCIPMPQGRFNDLAP-UHFFFAOYSA-NEthyl-1,3 thiazole-5-carboxylateSBB053919AKOS005146155
Database identifiers
- CAS
32955-22-9- PubChem CID
- 459108
- DTXSID
DTXSID30332604
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 103 · 103-104 °C(Press: 13 Torr)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 0.9 · 0.90±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- InChI
- InChI=1S/C6H7NO2S/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
- InChIKey
- CIPMPQGRFNDLAP-UHFFFAOYSA-N
- SMILES
- S1C(C(OCC)=O)=CN=C1
- Comptox DTXSID
- 30332604 · DTXSID30332604
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
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
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesThiazole-5-carboxylic acid ethyl ester is an ester derivative that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Related reactions
65 records
Compound notes
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