2,4-Dimethylthiazole

C₅H₇NSCAS 541-58-2113.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇NS
Molar mass: 113.18 g/mol
Exact mass: 113.0299 Da
Density: 1.0513 g/mL (at 20 °C)
Melting point: 272 °C
Boiling point: 146 °C
logP: 1.76Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed71.6% of notifiers
H315 Causes skin irritation98.8% of notifiers
H319 Causes serious eye irritation98.8% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 162 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

541-58-2

SMILES

Cc1csc(C)n1

InChIKey

OBSLLHNATPQFMJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Thiazole, 2,4-dimethyl-
2,4-Methylthiazole
2,4-Dimethyl-1,3-thiazole
NSC 7510

Reactions

2,4-DIMETHYLTHIAZOLE (Thiazole, 2,4-dimethyl-)product

Work with 2,4-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

4-Methyl-2(3H)-thiazolethione4498-39-954 % similar 2-Isopropyl-4-methylthiazole15679-13-754 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-848 % similar 2-Ethyl-4-methylthiazole15679-12-648 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-642 % similar 2-Methylthiazole3581-87-136 % similar 4-Methylthiazole693-95-835 % similar 2,6-Lutidine108-48-533 % similar

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

Same formula

2-Thiophenemethanamine27757-85-3 3-Thiophenemethanamine27757-86-4 4,5-Dimethylthiazole3581-91-7 2,5-Dimethylthiazole4175-66-0

Elsewhere

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