Basic information
- CAS
618072-24-5- Standard SMILES
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2C1c1cccs1- InChIKey
HOGDRBSEZLRPAF-ATVHPVEESA-N- Molecular formula
- C22H19N3O6S2
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.07152768
Names & identifiers
- Preferred name
- 2-Methoxyethyl (2Z)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
- IUPAC
- 2-methoxyethyl (2Z)-7-methyl-2-[(2-nitrophenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- SALOR-INT L421510-1EA
- Molecular formula
- C22H19N3O6S2
- Molecular weight
- 485.54
Names & synonyms
618072-24-52-METHOXYETHYL (2Z)-7-METHYL-2-(2-NITROBENZYLIDENE)-3-OXO-5-(2-THIENYL)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE2-Methoxyethyl (2Z)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylateRefChem:474626637-854-42-Methoxyethyl 7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTK813729AKOS002193253AKOS0160694212-methoxyethyl (2Z)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateSALOR-INT L421510-1EA(Z)-2-methoxyethyl 7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Show more names
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-7-methyl-2-[(2-nitrophenyl)methylene]-3-oxo-5-(2-thienyl)-, 2-methoxyethyl ester
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 912
Physicochemical properties
- Boiling point
- 645.6 · 645.6±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -4.87 · -4.87±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 39 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
- H319-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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