2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate

C12H19NO2SCAS 94159-32-7241.35 g/mol

Open in Covalent MOL file
OOSN
Ester

Properties

Molecular formula
C12H19NO2S
Molar mass
241.35 g/mol
Exact mass
241.1137 Da
Density
1.065–1.071 g/mL
logP
3.12Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

Not classified as hazardous under GHS by 91 ECHA notifiers. Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
94159-32-7
SMILES
CCCCCC(=O)OCCc1scnc1C
InChIKey
VJULDCZELAIZHC-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3

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Names and synonyms

3 names
  • Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
  • 2-(4-Methylthiazol-5-yl)ethyl hexanoate
  • 2-(4-Methyl-5-thiazolyl)ethyl hexanoate

Work with 2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate

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-(4-Methyl-1,3-thiazol-5-yl)ethyl decanoate101426-31-798 % similar 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-683 % similar 4-Methyl-5-thiazoleethanol acetate656-53-160 % similar Pentyl hexanoate540-07-850 % similar Propyl hexanoate626-77-750 % similar Butyl hexanoate626-82-450 % similar Glycol distearate627-83-850 % similar Butyl laurate106-18-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxy-4-ethylthiophenethylamine207740-24-7

Elsewhere

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