chempirical

2-Isobutylthiazole

C7H11NSCAS 18640-74-9141.23 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C7H11NS
Molar mass
141.23 g/mol
Exact mass
141.0612 Da
Boiling point
60–62 °C
logP
2.34Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
18640-74-9
SMILES
CC(C)Cc1nccs1
InChIKey
CMPVUVUNJQERIT-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Thiazole, 2-(2-methylpropyl)-
  • Thiazole, 2-isobutyl-
  • 2-(2-Methylpropyl)thiazole
  • 2-Isobutyl-1,3-thiazole
  • NSC 290430
  • 2-(2-Methylpropyl)-1,3-thiazole

Work with 2-Isobutylthiazole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Propylthiazole17626-75-450 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-845 % similar 2-Isobutyl-3-methylpyrazine13925-06-939 % similar Isobutylpyrazine29460-92-239 % similar 2-Isobutylpyridine6304-24-139 % similar 2-Methylthiazole3581-87-139 % similar 2-Isobutyl-4,5-dimethylthiazole53498-32-137 % similar 2-Ethoxythiazole15679-19-336 % similar

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

Same formula

Cyclohexyl isothiocyanate1122-82-3 2-Isopropyl-4-methylthiazole15679-13-7 2-sec-Butylthiazole18277-27-5 2-Ethyl-4,5-dimethylthiazole873-64-3

Elsewhere

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