Ethyl L-thiazolidine-4-carboxylate hydrochloride

C₆H₁₂ClNO₂SCAS 86028-91-3197.68 g/mol

Open in Covalent MOL file

Ester Secondary amine Sulfide

Properties

Molecular formula: C₆H₁₂ClNO₂S
Molar mass: 197.68 g/mol
Exact mass: 197.0277 Da
logP: 0.63Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

86028-91-3

SMILES

CCOC(=O)[C@@H]1CSCN1.Cl

InChIKey

SQRLNYSSTHJCIU-JEDNCBNOSA-N

InChI

InChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1

Weigh it out

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Work with Ethyl L-thiazolidine-4-carboxylate hydrochloride

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 thiomorpholine-3-carboxylate58729-31-065 % similar H-D-Pro-oet hcl131477-20-856 % similar Ethyl trans-4-hydroxy-L-prolinate hydrochloride33996-30-454 % similar Diethyl aminomalonate hydrochloride13433-00-649 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-848 % similar Ethyl 2-piperidinecarboxylate15862-72-348 % similar Ethyl 2-piperidinecarboxylate35677-84-048 % similar (S)-Alanine ethyl ester hydrochloride1115-59-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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