Ethyl 1,2,3-thiadiazole-4-carboxylate

C5H6N2O2SCAS 3989-36-4158.18 g/mol

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Ester

Properties

Molecular formula
C5H6N2O2S
Molar mass
158.18 g/mol
Exact mass
158.0150 Da
Melting point
86–86.5 °C
logP
0.71Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
3989-36-4
SMILES
CCOC(=O)c1csnn1
InChIKey
FBUHTNOJXVICFM-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3

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Names and synonyms

3 names
  • 1,2,3-Thiadiazole-4-carboxylic acid, ethyl ester
  • 4-(Ethoxycarbonyl)-1,2,3-thiadiazole
  • NSC 78612

Work with Ethyl 1,2,3-thiadiazole-4-carboxylate

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 1,3-thiazole-4-carboxylate14527-43-657 % similar Ethyl 2-methylthiazole-4-carboxylate6436-59-555 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-954 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-654 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-353 % similar Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate137156-41-350 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-150 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-3 4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-2 Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-1 2-Amino-4-thiazoleacetic acid29676-71-9 Methyl 2-aminothiazole-5-carboxylate6633-61-0 2-(4-Hydroxy-thiazol-2-yl)acetamide87947-94-2

Elsewhere

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