5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione

C10H8OS3CAS 532-11-6240.35 g/mol

Open in Covalent MOL file
OSSS
Ether

Properties

Molecular formula
C10H8OS3
Molar mass
240.35 g/mol
Exact mass
239.9737 Da
Melting point
111 °C
logP
4.21Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number
532-11-6
SMILES
COc1ccc(-c2cc(=S)ss2)cc1
InChIKey
KYLIZBIRMBGUOP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3

Weigh it out

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

Names and synonyms

22 names · show all
  • 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-
  • 3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-
  • 1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-
  • Anethole trithione
  • 5-(p-Methoxyphenyl)-1,2-dithiole-3-thione
  • Sulfarlem
  • Trithio-(p-methoxyphenyl)propene
  • Sulfogal
  • 5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione
  • 3-(p-Methoxyphenyl)trithione
  • SKF 1717
  • ADT
  • Felviten
  • Tiopropen
  • Tiotrifar
  • Trithio
  • Anethole dithiolthione
  • Secrebil
  • Mucinol
  • Trithioanethole
  • Sulfralem
  • Heporal

Work with 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione

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

Desmethylanethol trithione18274-81-256 % similar 4,4'-Dimethoxybiphenyl2132-80-148 % similar 2-(4-Methoxyphenyl)thiophene42545-43-747 % similar 6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene63675-74-146 % similar 1,4-Dimethoxybenzene150-78-743 % similar 4-Methoxybiphenyl613-37-642 % similar 5-(4-Methoxyphenyl)thiophene-2-carbaldehyde38401-67-141 % similar 4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde52988-34-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook