2-Acetyl-2-thiazoline

C₅H₇NOSCAS 29926-41-8129.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇NOS
Molar mass: 129.18 g/mol
Exact mass: 129.0248 Da
Melting point: 25–26 °C
logP: 0.72Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed25.6% of notifiers
H302 Harmful if swallowed73.7% of notifiers
H319 Causes serious eye irritation99.4% of notifiers

Aggregated from 156 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P301+P317, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

29926-41-8

SMILES

CC(=O)C1=NCCS1

InChIKey

FZOZFDAMVVEZSJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(4,5-dihydro-2-thiazolyl)-
Ketone, methyl 2-thiazolin-2-yl
1-(4,5-Dihydro-2-thiazolyl)ethanone
2-Acetylthiazoline
1-(4,5-Dihydro-1,3-thiazol-2-yl)ethanone

Work with 2-Acetyl-2-thiazoline

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-Methyl-2-thiazoline2346-00-144 % similar 2-Acetyl-1-pyrroline85213-22-539 % similar Diacetyl431-03-835 % similar 2-Thiazolidinone2682-49-734 % similar 2-Thiazolidinethione96-53-734 % similar Acetylpropionyl600-14-630 % similar

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

Same formula

Epigoitrin1072-93-1 2-Ethoxythiazole15679-19-3 2-Methyl-5-methoxythiazole38205-64-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook