chempirical

2-Mercapto-4-methyl-5-thiazoleacetic acid

C6H7NO2S2CAS 34272-64-5189.25 g/mol

Open in Covalent MOL file
NSHSOHO
Carboxylic acidThiol

Properties

Molecular formula
C6H7NO2S2
Molar mass
189.25 g/mol
Exact mass
188.9918 Da
logP
1.37Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
34272-64-5
SMILES
Cc1nc(S)sc1CC(=O)O
InChIKey
KYBOCQHDFLVQIB-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2S2/c1-3-4(2-5(8)9)11-6(10)7-3/h2H2,1H3,(H,7,10)(H,8,9)

Weigh it out

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

Names and synonyms

10 names
  • 5-Thiazoleacetic acid, 2,3-dihydro-4-methyl-2-thioxo-
  • 5-Thiazoleacetic acid, 2-mercapto-4-methyl-
  • 2,3-Dihydro-4-methyl-2-thioxo-5-thiazoleacetic acid
  • 2-(2-Mercapto-4-methyl-1,3-thiazol-5-yl)acetic acid
  • THR 221VI
  • 2-Mercapto-4-methyl-5-(carboxymethyl)thiazole
  • (2-Mercapto-4-methyl-1,3-thiazol-5-yl)acetic acid
  • 2-(4-Methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetic acid
  • 2-(4-Methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)acetic acid
  • 2-(4-Methyl-2-sulfanyl-1,3-thiazol-5-yl)acetic acid

Work with 2-Mercapto-4-methyl-5-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-Methylbenzo[B]thiophene-2-acetic acid1505-52-839 % similar 2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid53723-88-939 % similar 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-537 % similar 4-Mercaptophenylacetic acid39161-84-734 % similar P-Tolylacetic acid622-47-934 % similar 2-[(4,6-Dimethyl-2-pyrimidinyl)thio]acetic acid55749-30-933 % similar (2-Methylphenyl)acetic acid644-36-033 % similar 1,4-Benzenediacetic acid7325-46-432 % similar

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

Same formula

4-Methyl-2-thioxo-3(2H)-thiazoleacetic acid31090-12-7

Elsewhere

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