chempirical

2-Thiopheneethanol

C6H8OSCAS 5402-55-1128.19 g/mol

Open in Covalent MOL file
HOS
Alcohol

Properties

Molecular formula
C6H8OS
Molar mass
128.19 g/mol
Exact mass
128.0296 Da
Density
1.0926 g/mL (at 20 °C)
Boiling point
90.5 °C (at 11 Torr)
logP
1.28Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
5402-55-1
SMILES
OCCc1cccs1
InChIKey
VMJOFTHFJMLIKL-UHFFFAOYSA-N
InChI
InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2

Weigh it out

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

Names and synonyms

8 names
  • 2-(2-Thienyl)ethanol
  • 2-(2-Hydroxyethyl)thiophene
  • 2-(2-Thienyl)-1-ethanol
  • 2-(2-Hydroxyethyl)thiofuran
  • NSC 5136
  • 2-(Thiophen-2-yl)ethanol
  • 2-(Thiophen-2-yl)ethan-1-ol
  • 2-Thiophenylethanol

Work with 2-Thiopheneethanol

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-Thiophenemethanol636-72-660 % similar 2-Propylthiophene1551-27-556 % similar 2-Thiopheneethanamine30433-91-156 % similar 2-Butylthiophene1455-20-552 % similar 2-Pentylthiophene4861-58-950 % similar 2-Hexylthiophene18794-77-948 % similar 2-Octylthiophene880-36-448 % similar 2-Thiophenemethanamine27757-85-348 % similar

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

Same formula

2-Methyl-5-(methylthio)furan13678-59-6 3-Thiopheneethanol13781-67-4 2-[(Methylthio)methyl]furan1438-91-1 2,5-Dimethyl-3-furanthiol55764-23-3 2-Methyl-3-(methylthio)furan63012-97-5

Elsewhere

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