chempirical

2-(Phenylthio)thiophene

C10H8S2CAS 16718-12-0192.29 g/mol

Open in Covalent MOL file
SS
Sulfide

Properties

Molecular formula
C10H8S2
Molar mass
192.29 g/mol
Exact mass
192.0067 Da
Density
1.21 g/mL (at 20 °C)
Boiling point
155–157 °C (at 15 Torr)
logP
3.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
16718-12-0
SMILES
c1ccc(Sc2cccs2)cc1
InChIKey
JQTBWKNYWACCRU-UHFFFAOYSA-N
InChI
InChI=1S/C10H8S2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H

Weigh it out

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

Names and synonyms

5 names
  • Thiophene, 2-(phenylthio)-
  • 2-Phenylthiothiophene
  • Phenyl 2-thienyl sulfide
  • 2-(Phenylsulfanyl)thiophene
  • 2-Phenylsulfanylthiophene

Work with 2-(Phenylthio)thiophene

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

2,2′-Dithiobis[thiophene]6911-51-954 % similar Diphenyl sulfide139-66-250 % similar 2-Phenylthiophene825-55-839 % similar Diphenyl disulfide882-33-738 % similar 2,2'-Bithiophene492-97-736 % similar 2-(Phenylthio)aniline1134-94-735 % similar 4-(Phenylthio)benzaldehyde1208-88-434 % similar 4-(Phenylthio)benzenemethanol6317-56-234 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook