2,3,5-Trimethylthiophene

C₇H₁₀SCAS 1795-05-7126.22 g/mol

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Properties

Molecular formula: C₇H₁₀S
Molar mass: 126.22 g/mol
Exact mass: 126.0503 Da
Density: 0.9753 g/mL (at 20 °C)
Boiling point: 164.5 °C
logP: 2.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1795-05-7

SMILES

Cc1cc(C)c(C)s1

InChIKey

QKZJQIHBRCFDGQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h4H,1-3H3

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

Names and synonyms

1 names

Thiophene, 2,3,5-trimethyl-

Work with 2,3,5-Trimethylthiophene

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

B-(2,5-Dimethyl-3-thienyl)boronic acid162607-23-046 % similar 3-Acetyl-2,5-dimethylthiophene2530-10-143 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-042 % similar 2,5-Dimethylthiophene638-02-836 % similar 2,3-Dimethylthiophene632-16-635 % similar 2-Methylbenzothiophene1195-14-834 % similar 2,5-Dibromo-3-methylthiophene13191-36-131 % similar 2-Amino-5-methyl-3-thiophenecarbonitrile138564-58-630 % similar

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

Same formula

2-Propylthiophene1551-27-5

Elsewhere

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