chempirical

2-Propylthiophene

C7H10SCAS 1551-27-5126.22 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C7H10S
Molar mass
126.22 g/mol
Exact mass
126.0503 Da
Density
0.9683 g/mL (at 20 °C)
Boiling point
158 °C
logP
2.70Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
1551-27-5
SMILES
CCCc1cccs1
InChIKey
BTXIJTYYMLCUHI-UHFFFAOYSA-N
InChI
InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Thiophene, 2-propyl-
  • 2-n-Propylthiophene
  • NSC 82326

Work with 2-Propylthiophene

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-Butylthiophene1455-20-576 % similar 2-Pentylthiophene4861-58-973 % similar 2-Hexylthiophene18794-77-970 % similar 2-Octylthiophene880-36-470 % similar 2-Ethylthiophene872-55-960 % similar 2-Thiopheneethanamine30433-91-156 % similar 2-Thiopheneethanol5402-55-156 % similar 2-Thiophenemethanamine27757-85-348 % similar

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

Same formula

2,3,5-Trimethylthiophene1795-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook