4-Methyl-1,2,3-thiadiazole-5-carboxylic acid

C4H4N2O2SCAS 18212-21-0144.15 g/mol

Open in Covalent MOL file
NNSOHO
Carboxylic acid

Properties

Molecular formula
C4H4N2O2S
Molar mass
144.15 g/mol
Exact mass
143.9993 Da
Melting point
174–178 °C
logP
0.54Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
18212-21-0
SMILES
Cc1nnsc1C(=O)O
InChIKey
NHHQOYLPBUYHQU-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)

Weigh it out

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

Names and synonyms

3 names
  • 1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-
  • SV 03
  • NK-F 001

Work with 4-Methyl-1,2,3-thiadiazole-5-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

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-950 % similar 4-Methylthiazole-5-carboxylic acid20485-41-050 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-250 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-647 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-141 % similar 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-841 % similar 3,4-Dimethylthieno(2,3-b)thiophene-2,5-dicarboxylic acid175202-55-841 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminothiazole-4-carboxylic acid40283-41-8 Thiobarbituric acid504-17-6

Elsewhere

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