Methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
Basic information
- CAS
28942-54-3- Standard SMILES
CCc1sc(N)nc1C(=O)OC- InChIKey
GIAXMSUPTGGVFG-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.04629856
Names & identifiers
- Preferred name
- Methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
- IUPAC
- methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
- English name
- Methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
- Molecular formula
- C7H10N2O2S
- Molecular weight
- 186.23
Names & synonyms
28942-54-3methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylateMethyl 2-amino-5-ethylthiazole-4-carboxylateMFCD007286254-Thiazolecarboxylic acid, 2-amino-5-ethyl-, methyl esterMethyl 5-ethyl-2-imino-2,3-dihydrothiazole-4-carboxylateOprea1_180645SCHEMBL535765DTXSID00353265GIAXMSUPTGGVFG-UHFFFAOYSA-NALBB-035300SBB090456
Show more names
2-Amino-5-ethyl-4-(methoxycarbonyl)-1,3-thiazoleMethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate2-Amino-5-ethylthiazole-4-carboxylic acid methyl ester
AKOS005070124SY139289DB-047490CS-0296540EN300-1104271W-0618AB-601/30963024
Database identifiers
- CAS
28942-54-3- PubChem CID
- 737585
- DTXSID
DTXSID00353265- EC Number
- 696-172-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 120 · 120-122°C
- Boiling point
- 341.9 · 341.9±30.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.89 · 2.89±0.10(Predicted)
- form
- solid
- color
- Faint yellow/orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36-37
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
Safety data
- hs_code
- 2934100090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36-37
- hazard_class
- IRRITANT
- Hazard statements
- H317
- Precautionary statements
- P261-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
31 records
Compound notes
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