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Bis(carbonyldithio)tetrathiafulvalene

Catalog Number
ACM64394474-1
CAS Number
64394-47-4
Product Name
Bis(carbonyldithio)tetrathiafulvalene
Structure
Category
Charge Transfer Complexes; Electronic Materials; Molecular Conductors
Synonyms
2,2'-Bis(1,3,4,6-tetrathiapentalene-5-one)
IUPAC Name
2-(5-oxo-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
Molecular Weight
384.57
Molecular Formula
C8O2S8
Canonical SMILES
C1(=C2SC3=C(S2)SC(=O)S3)SC4=C(S1)SC(=O)S4
InChI
InChI=1S/C8O2S8/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5
InChI Key
JVSSQMMIVZRMMO-UHFFFAOYSA-N
Melting Point
178 °C
Purity
>95.0%(W)
Appearance
Light yellow to Brown powder to crystal
Storage
Store under inert gas
Complexity
504
Covalently-Bonded Unit Count
1
Exact Mass
383.766399g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Heavy Atom Count
18
MDL Number
MFCD00059965
Monoisotopic Mass
383.766399g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P285 : In case of inadequate ventilation wear respiratory protection.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P272 : Contaminated work clothing must not be allowed out of the workplace.P342 + P311 : If experiencing respiratory symptoms: Call a POISON CENTER/doctor.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P304 + P341 : IF INHALED: If breathing is difficult, remove person to fresh air and keep comfortable for breathing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
0
Signal Word
Danger
XLogP3
5.1
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