Methyl 4-aminothiophene-3-carboxylate Hydrochloride

C6H8ClNO2SCAS 39978-14-8193.65 g/mol

Open in Covalent MOL file
OOSH2NHCl
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
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

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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

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