31366-25-3
Product Name:
TETRATHIAFULVALENE
Formula:
C6H4S4
Synonyms:
Δ2,2′-Bi-1,3-dithiole;TTF
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Orange or yellow solid in neutral state; Loses electrons forming purple cation and yellow dication; [Merck Index] Orange crystalline powder; [Alfa Aesar MSDS] |
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Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H317:Sensitisation, Skin |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P321:Specific treatment (see … on this label). P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 204.4 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 0 |
Exact Mass | 203.91958482 g/mol |
Monoisotopic Mass | 203.91958482 g/mol |
Topological Polar Surface Area | 101 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 182 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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.