Tetrathiafulvalene
Properties
- Molecular formula
- C6H4S4
- Molar mass
- 204.34 g/mol
- Exact mass
- 203.9196 Da
- Melting point
- 119.1 °C
- Boiling point
- 90 °C (at 1 Torr)
- logP
- 4.02Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 0
Hazards
Warning
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
31366-25-3SMILES
C1=CSC(=C2SC=CS2)S1InChIKey
FHCPAXDKURNIOZ-UHFFFAOYSA-NInChI
InChI=1S/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4HCharacterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C6H5S4 204.9269[M + Na]+
[M + Na]+ Calcd for C6H4NaS4 226.9088[M − H]−
[M − H]− Calcd for C6H3S4 202.9123Elemental analysis
Anal. Calcd for C6H4S4: C, 35.27; H, 1.97; S, 62.76.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-
- δ2,2′-Bi-1,3-dithiole
- 2-(1,3-Dithiol-2-ylidene)-1,3-dithiole
- 1,4,5,8-Tetrathiafulvalene
- TTF
- NSC 222862
- 2-(2H-1,3-Dithiol-2-ylidene)-2H-1,3-dithiole
Work with Tetrathiafulvalene
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.