2-Ethyl-4,5-dimethyl-3-thiazoline

C₇H₁₃NSCAS 76788-46-0143.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃NS
Molar mass: 143.25 g/mol
Exact mass: 143.0769 Da
Density: 1.001–1.01 g/mL
logP: 2.32Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

76788-46-0

SMILES

CCC1N=C(C)C(C)S1

InChIKey

CSACPVARWHDAET-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
Thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl-
3-Thiazoline, 2-ethyl-4,5-dimethyl-
2-Ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
2-Ethyl-4,5-dimethyl-2,5-dihydrothiazole

Work with 2-Ethyl-4,5-dimethyl-3-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-Isobutyl-4,5-dimethyl-3-thiazoline65894-83-963 % similar 2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole65894-82-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexyl isothiocyanate4404-45-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook