4-Thiazolecarboxylic acid

C4H3NO2SCAS 3973-08-8129.13 g/mol

Open in Covalent MOL file
NSOOH
Carboxylic acid

Properties

Molecular formula
C4H3NO2S
Molar mass
129.13 g/mol
Exact mass
128.9884 Da
logP
0.84Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3973-08-8
SMILES
C1=C(N=CS1)C(=O)O
InChIKey
HMVYYTRDXNKRBQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)

Weigh it out

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

Work with 4-Thiazolecarboxylic 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

2,5-Pyrazinedicarboxylic acid122-05-452 % similar 1,2,3-Thiadiazole-4-carboxylic acid4100-13-448 % similar 4,6-Pyrimidine dicarboxylic acid16490-02-148 % similar 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-347 % similar Thiophene-3,4-dicarboxylic acid4282-29-546 % similar 3,6-Pyridazinedicarboxylic acid57266-70-346 % similar Ethyl 1,3-thiazole-4-carboxylate14527-43-644 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiazole-2-carboxylic acid14190-59-1 Thiazole-5-carboxylic acid14527-41-4 2-Nitrothiophene609-40-5

Elsewhere

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