Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate

C12H13NO2SCAS 7625-01-6235.30 g/mol

Open in Covalent MOL file
OONHS
AlkeneEsterSecondary amineSulfide

Properties

Molecular formula
C12H13NO2S
Molar mass
235.30 g/mol
Exact mass
235.0667 Da
logP
3.00Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7625-01-6
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C2S1)C
InChIKey
NCZIRXVLKKERGP-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2S/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,13H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl oxanilate1457-85-845 % similar Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate33458-26-343 % similar Diethyl benzylidenemalonate5292-53-543 % similar Ethyl benzoylformate1603-79-841 % similar (Carbethoxyethylidene)triphenylphosphorane5717-37-341 % similar 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate49713-41-940 % similar 3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate632-93-940 % similar Hantzsch ester1149-23-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Carboxin5234-68-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook