2-sec-Butylthiazole

C₇H₁₁NSCAS 18277-27-5141.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₁NS
Molar mass: 141.23 g/mol
Exact mass: 141.0612 Da
logP: 2.66Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

18277-27-5

SMILES

CCC(C)c1nccs1

InChIKey

MHJSWOZJMPIGJQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Thiazole, 2-(1-methylpropyl)-
Thiazole, 2-sec-butyl-
2-(1-Methylpropyl)thiazole
2-Butan-2-yl-1,3-thiazole

Work with 2-sec-Butylthiazole

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-sec-Butyl-3-methoxypyrazine24168-70-539 % similar 2-Ethoxythiazole15679-19-338 % similar 2-Propylthiazole17626-75-438 % similar 2-Methylthiazole3581-87-137 % similar sec-Butylbenzene135-98-836 % similar 1-(2-Thiazolyl)-1-propanone43039-98-134 % similar 4-(1-Methylpropyl)benzenamine30273-11-133 % similar 4-sec-Butylphenol99-71-833 % similar

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

Same formula

Cyclohexyl isothiocyanate1122-82-3 2-Isopropyl-4-methylthiazole15679-13-7 2-Isobutylthiazole18640-74-9 2-Ethyl-4,5-dimethylthiazole873-64-3

Elsewhere

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