2-Isobutylthiazole

C₇H₁₁NSCAS 18640-74-9141.23 g/mol

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Properties

Molecular formula: C₇H₁₁NS
Molar mass: 141.23 g/mol
Exact mass: 141.0612 Da
Density: 0.993–0.997 g/mL
Boiling point: 60–62 °C
logP: 2.34Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed84% of notifiers
H315 Causes skin irritation> 99.9% of notifiers
H319 Causes serious eye irritation> 99.9% of notifiers
H335 May cause respiratory irritation15.8% of notifiers

Aggregated from 1,534 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

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 and density.

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 1,3-Thiazol-2-ylmethanol14542-12-248 % similar (2-Thiazolyl)methylamine55661-33-148 % 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

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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