2-Isobutyl-4,5-dimethylthiazole
Properties
- Molecular formula
- C9H15NS
- Molar mass
- 169.29 g/mol
- Exact mass
- 169.0925 Da
- Boiling point
- 266–267 °C
- logP
- 2.96Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed65.8% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H319 Causes serious eye irritation12.5% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
Aggregated from 120 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
53498-32-1SMILES
Cc1nc(CC(C)C)sc1CInChIKey
NSVPHVLZAKJSGV-UHFFFAOYSA-NInChI
InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Thiazole, 4,5-dimethyl-2-(2-methylpropyl)-
- 4,5-Dimethyl-2-(2-methylpropyl)thiazole
- 4,5-Dimethyl-2-isobutylthiazole
Work with 2-Isobutyl-4,5-dimethylthiazole
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-Ethyl-4,5-dimethylthiazole873-64-357 % similar
4,5-Dimethyl-2-(1-methylethyl)thiazole53498-30-948 % similar
2,4,5-Trimethylthiazole13623-11-543 % similar
4-Methyl-2-(2-methylpropyl)thiazole61323-24-843 % similar
4,5-Dimethyl-1,3-thiazol-2-amine2289-75-041 % similar
2-Isobutyl-3-methylpyrazine13925-06-937 % similar
2-Isobutylthiazole18640-74-937 % similar
2-Amino-4,5-dimethylthiazole hydrochloride71574-33-937 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.