chempirical

2-Butylthiophene

C8H12SCAS 1455-20-5140.24 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C8H12S
Molar mass
140.24 g/mol
Exact mass
140.0660 Da
Density
0.9554 g/mL (at 20 °C)
Boiling point
181.5 °C
logP
3.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
1455-20-5
SMILES
CCCCc1cccs1
InChIKey
MNDZHERKKXUTOE-UHFFFAOYSA-N
InChI
InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Thiophene, 2-butyl-
  • 2-n-Butylthiophene

Work with 2-Butylthiophene

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-Pentylthiophene4861-58-988 % similar 2-Hexylthiophene18794-77-985 % similar 2-Octylthiophene880-36-485 % similar 2-Propylthiophene1551-27-576 % similar 2-Ethylthiophene872-55-956 % similar 2-Thiopheneethanamine30433-91-152 % similar 2-Thiopheneethanol5402-55-152 % similar 2-Thiophenebutanoic acid4653-11-649 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook