Methyl 4-aminothiophene-3-carboxylate Hydrochloride

C₆H₈ClNO₂SCAS 39978-14-8193.65 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₈ClNO₂S
Molar mass: 193.65 g/mol
Exact mass: 192.9964 Da
logP: 1.54Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

39978-14-8

SMILES

COC(=O)C1=CSC=C1N.Cl

InChIKey

JGIRDDQLZLXRKQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-10-3-5(4)7;/h2-3H,7H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

Methyl 3-aminothiophene-4-carboxylate hydrochloride

Work with Methyl 4-aminothiophene-3-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

Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-455 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-654 % similar Methyl anthranilate134-20-351 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-749 % similar Methyl 2-amino-4,5-difluorobenzoate207346-42-749 % similar Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-149 % similar Dimethyl 3-aminoterephthalate5372-81-649 % similar Methyl 3-amino-2-methylbenzoate18583-89-648 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook