2,4-Dimethylthiophene

C₆H₈SCAS 638-00-6112.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈S
Molar mass: 112.19 g/mol
Exact mass: 112.0347 Da
Boiling point: 140.7 °C
logP: 2.36Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

638-00-6

SMILES

Cc1csc(C)c1

InChIKey

CPULIKNSOUFMPL-UHFFFAOYSA-N

InChI

InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3

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

Names and synonyms

1 names

Thiophene, 2,4-dimethyl-

Work with 2,4-Dimethylthiophene

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

2-Acetyl-4-methylthiophene13679-73-741 % similar 2-Methylthiophene554-14-338 % similar Mesitylene108-67-837 % similar 3,5-Di-tert-butyltoluene15181-11-031 % similar 5-Methylthiazole3581-89-331 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-131 % similar M-Xylene108-38-330 % similar P-Xylene106-42-330 % similar

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

Same formula

3-Ethylthiophene1795-01-3 2,3-Dimethylthiophene632-16-6 2,5-Dimethylthiophene638-02-8 2-Ethylthiophene872-55-9

Elsewhere

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