4,4',5,5',6,6',7,7'-Octahydrodibenzotetrathiafulvalene
Basic information
- CAS
35079-58-4- Standard SMILES
C1CCC2=C(C1)SC(=C1SC3=C(CCCC3)S1)S2- InChIKey
UCKWGUYMPUVGCH-UHFFFAOYSA-N- Molecular formula
- C14H16S4
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.0134852
Names & identifiers
- Preferred name
- 4,4',5,5',6,6',7,7'-Octahydrodibenzotetrathiafulvalene
- IUPAC
- 2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole
- English name
- 4,4',5,5',6,6',7,7'-Octahydrodibenzotetrathiafulvalene
- Molecular formula
- C14H16S4
- Molecular weight
- 312.54
Names & synonyms
35079-58-44,4',5,5',6,6',7,7'-OctahydrodibenzotetrathiafulvaleneDTXSID90391772RefChem:284412DTXCID403426332-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithioleSCHEMBL9248208AKOS024360142ST509899392-(4,5,6,7-Tetrahydro-2H-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-2H-1,3-benzodithiole2-(4,5,6,7-tetrahydrobenzo[1,2-d]1,3-dithiolen-2-ylidene)-4,5,6,7-tetrahydrobe nzo[1,2-d]1,3-dithioleneBis-cyclohexyl-tetrathiafulvalene
Show more names
BIS-TETRAMETHYLENE-TETRATHIAFULVALENE4 4' 5 5' 6 6' 7 7'-OCTAHYDRODIBENZO- &4,5,6,7,4567Octahydro[2,2bi[benzo[1,3]dithiolyidene1,3-Benzodithiole, 4,5,6,7-tetrahydro-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-
Database identifiers
- CAS
35079-58-4- PubChem CID
- 3359282
- DTXSID
DTXSID90391772- Nikkaji
- J1.017.788J、J2.212.091C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 245 °C · 245 °C (dec.)(lit.)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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