4,5-Dimethylthiazole

C₅H₇NSCAS 3581-91-7113.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇NS
Molar mass: 113.18 g/mol
Exact mass: 113.0299 Da
Density: 1.0699 g/mL (at 20 °C)
Melting point: 83.5 °C
Boiling point: 158 °C
logP: 1.76Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

3581-91-7

SMILES

Cc1ncsc1C

InChIKey

UWSONZCNXUSTKW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Thiazole, 4,5-dimethyl-
4,5-Dimethyl-1,3-thiazole

Work with 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

4-Methyl-5-thiazolecarboxaldehyde82294-70-048 % similar 4-Methyl-5-vinylthiazole1759-28-046 % similar 4-Methyl-5-(2-hydroxyethyl)thiazole137-00-843 % similar Clomethiazole533-45-943 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-042 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-237 % similar 2,3-Dimethylpyrazine5910-89-436 % similar 5-(2-Acetoxyethyl)-4-methylthiazole656-53-135 % similar

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

Same formula

2-Thiophenemethanamine27757-85-3 3-Thiophenemethanamine27757-86-4 2,5-Dimethylthiazole4175-66-0 2,4-Dimethylthiazole541-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook