chempirical

2,5-Dimethylthiophene

C6H8SCAS 638-02-8112.19 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C6H8S
Molar mass
112.19 g/mol
Exact mass
112.0347 Da
Density
0.9836 g/mL (at 20 °C)
Melting point
−62.6 °C
Boiling point
136.5 °C
logP
2.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
638-02-8
SMILES
Cc1ccc(C)s1
InChIKey
GWQOOADXMVQEFT-UHFFFAOYSA-N
InChI
InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Thiophene, 2,5-dimethyl-
  • NSC 60689

Work with 2,5-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-Bromo-5-methylthiophene765-58-258 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-450 % similar 5-Methyl-2-thiopheneboronic acid162607-20-750 % similar 2-Acetyl-5-methylthiophene13679-74-846 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-244 % similar 2-Methylthiophene554-14-340 % similar 2-Methylbenzothiophene1195-14-838 % similar 2,3,5-Trimethylthiophene1795-05-736 % similar

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

Same formula

3-Ethylthiophene1795-01-3 2,3-Dimethylthiophene632-16-6 2,4-Dimethylthiophene638-00-6 2-Ethylthiophene872-55-9

Elsewhere

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