Basic information
- CAS
609795-83-7- Standard SMILES
CCc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1- InChIKey
WZOBGDYNCRAPBV-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11946368
Names & identifiers
- Preferred name
- Methyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
- IUPAC
- methyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
- English name
- SALOR-INT L434388-1EA
- Molecular formula
- C18H20N2O3S
- Molecular weight
- 344.43
Names & synonyms
methyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylateMethyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylateRefChem:817219609795-83-7646-049-7STK880458AKOS001685859AKOS016067762SR-01000113266SR-01000113266-1SALOR-INT L434388-1EAmethyl 6-(4-ethylphenyl)-8-methyl-4-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
Show more names
2H,6H-Pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid, 6-(4-ethylphenyl)-3,4-dihydro-8-methyl-4-oxo-, methyl ester
Database identifiers
- CAS
609795-83-7- PubChem CID
- 3696897
- EC Number
- 646-049-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Boiling point
- 486.6 · 486.6±55.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -0.75 · -0.75±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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