chempirical

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

C5H6N2O2SCAS 3989-36-4158.18 g/mol

Open in Covalent MOL file
OOSNN
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

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

Weigh it out

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

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

Diethyl 2,6-pyridinedicarboxylate15658-60-353 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-150 % similar Ethyl oxazole-4-carboxylate23012-14-849 % similar Ethyl 2-pyridinecarboxylate2524-52-949 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-448 % similar Diethyl terephthalate636-09-947 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-146 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-046 % 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 2-Amino-4-thiazoleacetic acid29676-71-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook