Basic information
- CAS
1356404-83-5- Standard SMILES
CCOC(=O)CC(=O)c1cncs1- InChIKey
VNKSPYXTDAPDCL-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.03031432
Names & identifiers
- Preferred name
- Ethyl 3-oxo-3-(1,3-thiazol-5-yl)propanoate
- IUPAC
- ethyl 3-oxo-3-(1,3-thiazol-5-yl)propanoate
- English name
- ethyl 3-oxo-3-(thiazol-5-yl)propanoate
- Molecular formula
- C8H9NO3S
- Molecular weight
- 199.23
Names & synonyms
ethyl 3-oxo-3-(1,3-thiazol-5-yl)propanoate1356404-83-5RefChem:595046822-255-4SCHEMBL28488682GEC40483AKOS019042094DA-34061ethyl3-oxo-3-(1,3-thiazol-5-yl)propanoateEN300-1126807A1-19011Z1407062821
Show more names
Ethyl β-oxo-5-thiazolepropanoateethyl 3-oxo-3-(thiazol-5-yl)propanoate5-Thiazolepropanoic acid, β-oxo-, ethyl ester
Database identifiers
- CAS
1356404-83-5- PubChem CID
- 80478263
- EC Number
- 822-255-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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