chempirical

2-Pentylthiophene

C9H14SCAS 4861-58-9154.27 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C9H14S
Molar mass
154.27 g/mol
Exact mass
154.0816 Da
Density
0.947 g/mL (at 18.7 °C)
Melting point
−59 °C
Boiling point
118–120 °C (at 12 Torr)
logP
3.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
4861-58-9
SMILES
CCCCCc1cccs1
InChIKey
NOYVOSGVFSEKPR-UHFFFAOYSA-N
InChI
InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

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Names and synonyms

2 names
  • Thiophene, 2-pentyl-
  • 2-n-Pentylthiophene

Work with 2-Pentylthiophene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hexylthiophene18794-77-996 % similar 2-Octylthiophene880-36-496 % similar 2-Butylthiophene1455-20-588 % similar 2-Propylthiophene1551-27-573 % similar 2-Ethylthiophene872-55-954 % similar 2-Thiopheneethanamine30433-91-150 % similar 2-Thiopheneethanol5402-55-150 % similar Hexylbenzene1077-16-348 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook