chempirical

3-Ethylthiophene

C6H8SCAS 1795-01-3112.19 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C6H8S
Molar mass
112.19 g/mol
Exact mass
112.0347 Da
Melting point
−89.1 °C
Boiling point
136 °C
logP
2.31Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1795-01-3
SMILES
CCc1ccsc1
InChIKey
SLDBAXYJAIRQMX-UHFFFAOYSA-N
InChI
InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3

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

Names and synonyms

1 names
  • Thiophene, 3-ethyl-

Work with 3-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

3-Thiophenemethanamine27757-86-452 % similar 3-Thiophenemethanol71637-34-852 % similar Poly(3-hexylthiophene)104934-50-152 % similar 3-Dodecylthiophene104934-52-352 % similar 3-N-Octadecylthiophene104934-54-552 % similar 3-Tetradecylthiophene110851-66-652 % similar 3-Hexadecylthiophene119269-24-852 % similar 3-Hexylthiophene1693-86-352 % similar

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

Same formula

2,3-Dimethylthiophene632-16-6 2,4-Dimethylthiophene638-00-6 2,5-Dimethylthiophene638-02-8 2-Ethylthiophene872-55-9

Elsewhere

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