Basic information
- CAS
31366-25-3- Standard SMILES
C1=CSC(=C2SC=CS2)S1- InChIKey
FHCPAXDKURNIOZ-UHFFFAOYSA-N- Molecular formula
- C6H4S4
- Average molar mass
- 204.4 g/mol
- Monoisotopic mass
- 203.91958482
Overview
Tetrathiafulvalene is a member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2. It is an organosulfur heterocyclic compound and a member of fulvalenes.
Names & identifiers
- Preferred name
- Tetrathiafulvalene
- IUPAC
- 2-(1,3-dithiol-2-ylidene)-1,3-dithiole
- English name
- Tetrathiafulvalene
- Molecular formula
- C6H4S4
- Molecular weight
- 204.34
Names & synonyms
Tetrathiafulvalene31366-25-32-(1,3-dithiol-2-ylidene)-1,3-dithiole1,4,5,8-Tetrathiafulvalene1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-HY1EN16W9TDTXSID6067620delta-2,2'-Bi-1,3-dithioleBIS-1,3-DITHIOLENSC-222862CHEBI:52444RefChem:188900
Show more names
RHOHARHHetrathiafulvaleneTetrathiafulvalene 97%Tetrathiafulvalene,98%Tetrathiafulvalene,97%ω-2,2’-Bi-1,3-dithiole
DTXCID4038346250-593-72,2'-Bi(1,3-dithiolylidene)TTFMFCD00005492Tetrathiafulvalene, 97%delta-2:2'-Bis(1,3-dithiazole)NSC 222862
Database identifiers
- CAS
31366-25-3- PubChem CID
- 99451
- DTXSID
DTXSID6067620- ChEBI
CHEBI:52444- UNII
- HY1EN16W9T
- EC Number
- 250-593-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionOrange or yellow solid in neutral state; Loses electrons forming purple cation and yellow dication; [Merck Index] Orange crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 116 · 116-119 °C (lit.)
- Boiling point
- 90 ℃ · 90℃ (1 Torr)
- Density
- 1.448 · 1.448 (estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- Crystals or Crystalline Powder
- color
- Orange to brownish
- Water Solubility
- It is insoluble in water. Soluble in organic solvents.
- Sensitive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Safety data
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3335
- hs_code
- 29309090
- risk_code
- 43-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37-61-24/25
- Hazard statements
- H317
- Precautionary statements
- P261-P280g-P302+P352a-P321-P333+P313-P501a
Chemistry & industry
Uses & manufacturing
UsesUsed in molecular sensors and as a radical catalyst; [Merck Index]
General Manufacturing Information1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-: ACTIVE
Applications
UsesElectron donor for supramolecular synthesis,1 charge-transfer complex synthesis2 with 7,7,8,8-tetracyanoquinodimethane (cat. no. 157635), and for electron transfer to diazonium salts.3
UsesTetrathiafulvalene, holds wide application in HPLC, NMR. This heterocyclic compound contributed to the development of molecular electronics. They are used as a organic super conductors.
UsesMolecular sensors; radical catalyst.
General DescriptionTetrathiafulvalene (TTF) is an electron-donor which consists of oligomers, dendrimers and polymers which can be used in the formation of redox macromolecules.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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