2-Phenylthiophene

C₁₀H₈SCAS 825-55-8160.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈S
Molar mass: 160.23 g/mol
Exact mass: 160.0347 Da
Density: 1.1215 g/mL (at 54 °C)
Melting point: 34–34.5 °C
Boiling point: 256.1 °C
logP: 3.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

825-55-8

SMILES

c1ccc(-c2cccs2)cc1

InChIKey

PJRGDKFLFAYRBV-UHFFFAOYSA-N

InChI

InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2-phenyl-

Work with 2-Phenylthiophene

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

2,2'-Bithiophene492-97-763 % similar 2-(4-Fluorophenyl)thiophene58861-48-660 % similar 2-(4-Methoxyphenyl)thiophene42545-43-754 % similar Terthiophene1081-34-152 % similar 2-(2-Thienyl)pyridine3319-99-146 % similar 3-(Thien-2-yl)benzoic acid29886-63-344 % similar Biphenyl92-52-442 % similar Para-quaterphenyl135-70-640 % similar

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

Same formula

3-Phenylthiophene2404-87-7 2-Naphthalenethiol91-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook