Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride

C8H10ClNO4SCAS 121071-71-4251.68 g/mol

Open in Covalent MOL file
OOSH2NOOHCl
EsterPrimary amine

Properties

Molecular formula
C8H10ClNO4S
Molar mass
251.68 g/mol
Exact mass
251.0019 Da
logP
1.33Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 6
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
121071-71-4
SMILES
COC(=O)C1=C(SC=C1N)C(=O)OC.Cl
InChIKey
RETIFGMAGNDLAN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H

Weigh it out

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

Work with Dimethyl 4-aminothiophene-2,3-dicarboxylate 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

Methyl 3-aminothiophene-2-carboxylate22288-78-455 % similar Methyl 4-aminothiophene-3-carboxylate Hydrochloride39978-14-855 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-151 % similar Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-150 % similar 3-Amino-5-methyl-thiophene-2-carboxylic acid methyl ester76575-71-848 % similar Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-145 % similar Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-844 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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