2-Methoxythiazole

C₄H₅NOSCAS 14542-13-3115.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅NOS
Molar mass: 115.15 g/mol
Exact mass: 115.0092 Da
logP: 1.15Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

14542-13-3

SMILES

COC1=NC=CS1

InChIKey

MJJRDTKNLLMJDJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3

Weigh it out

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

Work with 2-Methoxythiazole

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-Ethoxythiazole15679-19-356 % similar 2-Methylthiazole3581-87-144 % similar Methyl thiazole-2-carboxylate55842-56-339 % similar 2-Chlorothiazole3034-52-438 % similar 2-(Methylthio)thiazole5053-24-738 % similar 2-(Trimethylsilyl)thiazole79265-30-838 % similar 2-Bromothiazole3034-53-537 % similar 2-Mercaptothiazole5685-05-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Thiazol-2-ylmethanol14542-12-2 2-Methyl-4-isothiazoline-3-one2682-20-4 5-Thiazolylmethanol38585-74-9 4-Hydroxymethylthiazole7036-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook