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

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 141 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

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

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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-chloromethylThiophene765-50-452 % similar 2-Hexylthiophene18794-77-952 % 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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