chempirical

4-Methyl-2-thioxo-3(2H)-thiazoleacetic acid

C6H7NO2S2CAS 31090-12-7189.25 g/mol

Open in Covalent MOL file
SSNOHO
Carboxylic acid

Properties

Molecular formula
C6H7NO2S2
Molar mass
189.25 g/mol
Exact mass
188.9918 Da
logP
1.67Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
31090-12-7
SMILES
Cc1csc(=S)n1CC(=O)O
InChIKey
FVQQWSSTYVBNST-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2S2/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)

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

Names and synonyms

5 names
  • 3(2H)-Thiazoleacetic acid, 4-methyl-2-thioxo-
  • 4-Thiazoline-3-acetic acid, 4-methyl-2-thioxo-
  • 3-Carboxymethyl-4-methyl-4-thiazoline-2-thione
  • 2-(4-Methyl-2-thioxothiazol-3(2H)-yl)acetic acid
  • 2-(4-Methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)acetic acid

Work with 4-Methyl-2-thioxo-3(2H)-thiazoleacetic 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

3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-441 % similar N-(Carboxymethyl)acridone38609-97-135 % similar Benazolin3813-05-633 % similar (2-Methylphenyl)acetic acid644-36-032 % similar 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid101-29-130 % similar 2-(2,6-Dimethylphenoxy)acetic acid13335-71-230 % similar 2-Amino-4-thiazoleacetic acid29676-71-930 % similar 3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid56187-37-230 % similar

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

Same formula

2-Mercapto-4-methyl-5-thiazoleacetic acid34272-64-5

Elsewhere

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