Ethyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
Basic information
- CAS
617697-14-0- Standard SMILES
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(I)cc1- InChIKey
VWOFLUSJSLOCFR-UHFFFAOYSA-N- Molecular formula
- C17H17IN2O3S
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 456.00046
Names & identifiers
- Preferred name
- Ethyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
- IUPAC
- ethyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Names & synonyms
617697-14-0ethyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylateEthyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylateRefChem:595878644-397-4SALOR-INT L441600-1EASTK813425AKOS002193362AKOS016067610
Database identifiers
- CAS
617697-14-0- PubChem CID
- 3671650
- EC Number
- 644-397-4
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 597
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (100%)
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Compound notes
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