3-Oxo-N-2-thiazolylbutanamide
Basic information
- CAS
705-87-3- Standard SMILES
CC(=O)CC(=O)Nc1nccs1- InChIKey
IWMDVLIESVGDLX-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2S
- Average molar mass
- 184.22 g/mol
- Monoisotopic mass
- 184.03064868
Names & identifiers
- Preferred name
- 3-Oxo-N-2-thiazolylbutanamide
- IUPAC
- 3-oxo-N-(1,3-thiazol-2-yl)butanamide
- English name
- N-(2-Thiazolyl)acetoacetamide
- Molecular formula
- C7H8N2O2S
- Molecular weight
- 184.22
Names & synonyms
705-87-3ACETOACETAMIDE, N-2-THIAZOLYL-Butanamide, 3-oxo-N-2-thiazolyl-N-(2-Thiazolyl)AcetoacetamideYV8AZ0M3ONNSC 97096BRN 01497643-Oxo-N-2-thiazolylbutanamideNSC-97096DTXSID502207714-27-00-04599 (Beilstein Handbook Reference)RefChem:504699
Show more names
3-keto-N-thiazol-2-yl-butyramide
DTXCID80143262Butanamide, 3-oxo-N-2-thiazolyl-(9CI)635-325-23-oxo-N-(1,3-thiazol-2-yl)butanamideN-2-Thiazolylacetoacetamide3-Oxo-N-(thiazol-2-yl)butanamideN-(2-Thiazolyl)-3-oxobutyramideMFCD00022444
Database identifiers
- CAS
705-87-3- PubChem CID
- 12811
- DTXSID
DTXSID50220771- UNII
- YV8AZ0M3ON
- EC Number
- 635-325-2
- Nikkaji
- J55.351D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 165 · 165-168 °C
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 8.16 · 8.16±0.50(Predicted)
- FDA UNII
- 8 AZ0M3ON · YV8AZ0M3ON
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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