Methyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
Basic information
- CAS
618075-67-5- Standard SMILES
CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3[N+](=O)[O-])N2C1=O- InChIKey
GCXQDNKTAOBCIV-UHFFFAOYSA-N- Molecular formula
- C17H17N3O5S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.08889182
Names & identifiers
- Preferred name
- Methyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
- IUPAC
- methyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
618075-67-5methyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateMethyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylateRefChem:814390645-734-8Methyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTK814489AKOS001685339AKOS016068476EU-0049695SR-01000085699SR-01000085699-1
Show more names
Z57784331methyl 2ethyl7methyl5(2nitrophenyl)3oxo2,3dihydro5h[1,3]thiazolo[3,2a]pyrimidine6carboxylate
Database identifiers
- CAS
618075-67-5- PubChem CID
- 3729686
- EC Number
- 645-734-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 699
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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