chempirical

3-Phenylthiophene

C10H8SCAS 2404-87-7160.23 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C10H8S
Molar mass
160.23 g/mol
Exact mass
160.0347 Da
Melting point
91–92 °C
Boiling point
115–126 °C (at 2 Torr)
logP
3.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2404-87-7
SMILES
c1ccc(-c2ccsc2)cc1
InChIKey
ZDQZVKVIYAPRON-UHFFFAOYSA-N
InChI
InChI=1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

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

Names and synonyms

2 names
  • Thiophene, 3-phenyl-
  • NSC 229334

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Biphenyl92-52-450 % similar Para-quaterphenyl135-70-647 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-647 % similar Terphenyl92-94-447 % similar Biphenyl-diphenyl ether mixture8004-13-543 % similar 1,3,5-Triphenylbenzene612-71-543 % similar M-Terphenyl92-06-841 % similar 4-Phenylpyridine939-23-138 % similar

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

Same formula

2-Phenylthiophene825-55-8 2-Naphthalenethiol91-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook