chempirical

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

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

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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 3-amino-4-methylthiophene-2-carboxylate85006-31-151 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-644 % similar 2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride380430-55-744 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-743 % similar Methyl 2,6-dimethoxybenzoate2065-27-243 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-342 % similar Methyl anthranilate134-20-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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