chempirical

1,2,3-Thiadiazole-4-carboxylic acid

C3H2N2O2SCAS 4100-13-4130.12 g/mol

Open in Covalent MOL file
NNSOOH
Carboxylic acid

Properties

Molecular formula
C3H2N2O2S
Molar mass
130.12 g/mol
Exact mass
129.9837 Da
logP
0.24Crippen estimate
Polar surface area
63.1 Ų
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
4100-13-4
SMILES
C1=C(N=NS1)C(=O)O
InChIKey
HJZYBDPHAHGHAZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)

Weigh it out

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

Work with 1,2,3-Thiadiazole-4-carboxylic acid

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

3,6-Pyridazinedicarboxylic acid57266-70-352 % similar 4-Thiazolecarboxylic acid3973-08-848 % similar 2,5-Pyrazinedicarboxylic acid122-05-446 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-444 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-244 % similar 2-Aminothiazole-4-carboxylic acid40283-41-844 % similar 2-Chloro-1,3-thiazole-4-carboxylic acid5198-87-844 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-944 % similar

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

Elsewhere

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