chempirical

2-Ethylthiophene

C6H8SCAS 872-55-9112.19 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C6H8S
Molar mass
112.19 g/mol
Exact mass
112.0347 Da
Density
0.9928 g/mL (at 20 °C)
Boiling point
134 °C
logP
2.31Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
872-55-9
SMILES
CCc1cccs1
InChIKey
JCCCMAAJYSNBPR-UHFFFAOYSA-N
InChI
InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Thiophene, 2-ethyl-

Work with 2-Ethylthiophene

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-Propylthiophene1551-27-560 % similar 2-Butylthiophene1455-20-556 % similar 2-Pentylthiophene4861-58-954 % similar 2-Thiophenemethanamine27757-85-352 % similar 2-Thiophenemethanethiol6258-63-552 % similar 2-Thiophenemethanol636-72-652 % similar 2-Hexylthiophene18794-77-952 % similar 2-Octylthiophene880-36-452 % 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 2,5-Dimethylthiophene638-02-8

Elsewhere

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