Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Properties
- Molecular formula
- C10H9NO3S
- Molar mass
- 223.25 g/mol
- Exact mass
- 223.0303 Da
- logP
- 1.52Crippen estimate
- Polar surface area
- 55.4 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
188614-01-9SMILES
COC(=O)C1=CC2=C(C=C1)SCC(=O)N2InChIKey
UFSVRHNRNVVBJR-UHFFFAOYSA-NInChI
InChI=1S/C10H9NO3S/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds