chempirical

Terthiophene

C12H8S3CAS 1081-34-1248.38 g/mol

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SSS

Properties

Molecular formula
C12H8S3
Molar mass
248.38 g/mol
Exact mass
247.9788 Da
Melting point
93–94 °C
logP
5.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1081-34-1
SMILES
c1csc(-c2ccc(-c3cccs3)s2)c1
InChIKey
KXSFECAJUBPPFE-UHFFFAOYSA-N
InChI
InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

Weigh it out

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Names and synonyms

9 names
  • 2,2′:5′,2′′-Terthiophene
  • 2,2′-Bithiophene, 5-(2-thienyl)-
  • α-Terthienyl
  • 2,2′:5′,2′′-Terthienyl
  • α-Terthiophene
  • 2,2′,2′′-Terthiophene
  • α-Trithienyl
  • Trithiophene
  • 2,5-Di(2-thienyl)thiophene

Work with Terthiophene

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'-Bithiophene492-97-776 % similar 2-Phenylthiophene825-55-852 % similar 2-(4-Fluorophenyl)thiophene58861-48-644 % similar 2-(2-Thienyl)pyridine3319-99-143 % similar 3-(2-Thienyl)-1H-pyrazole19933-24-541 % similar 2-(4-Methoxyphenyl)thiophene42545-43-740 % similar Tris(2-thienyl)phosphine24171-89-938 % similar 2-Methylthiophene554-14-338 % similar

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

Elsewhere

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