3-Ethylthiophene
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
Hazards
Danger
- H225 Highly Flammable liquid and vapor66.7% of notifiers
- H226 Flammable liquid and vapor33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1795-01-3SMILES
CCc1ccsc1InChIKey
SLDBAXYJAIRQMX-UHFFFAOYSA-NInChI
InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3Weigh it out
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-Butylthiophene34722-01-556 % similar
3-Thiophenemethanamine27757-86-452 % similar
3-(Bromomethyl)thiophene34846-44-152 % similar
Thiophene-3-methanol71637-34-852 % similar
Poly(3-hexylthiophene)104934-50-152 % similar
3-Dodecylthiophene104934-52-352 % similar
3-N-Octadecylthiophene104934-54-552 % similar
3-Tetradecylthiophene110851-66-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.