Formyltetrathiafulvalene
Basic information
- CAS
68128-94-9- Standard SMILES
O=CC1=CSC(=C2SC=CS2)S1- InChIKey
NDJHQJARYXJFDI-UHFFFAOYSA-N- Molecular formula
- C7H4OS4
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 231.91449944
Names & identifiers
- Preferred name
- Formyltetrathiafulvalene
- IUPAC
- 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde
- English name
- ForMyltetrathiafulvalene
- Molecular formula
- C7H4OS4
- Molecular weight
- 232.37
Names & synonyms
Formyltetrathiafulvalene68128-94-9DTXSID30321053RefChem:1085546DTXCID50272174Formyl-TTF2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehydeMFCD00130128[2,2'-Bi(1,3-dithiolylidene)]-4-carbaldehyde2-(1,3-Dithiol-2-ylidene)-1,3-dithiole-4-carboxaldehyde2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiole-4-carbaldehyde[2,2'-Bi(1,3-dithiolylidene)]-4-carboxaldehyde
Show more names
Formyltetrathiafulvalene>2,2'-Bi(1,3-dithiolylidene)]-4-carbaldehyde1,3-Dithiole-4-carboxaldehyde, 2-(1,3-dithiol-2-ylidene)-Formyl-TTF [2,2'-Bi(1,3-dithiolylidene)]-4-carboxaldehyde
NSC3690454-FormyltetrathiafulvaleneC7H4OS44-monoformyl-tetrathiafulvaleneSCHEMBL1646213SCHEMBL9292734FF61893NSC-369045
Database identifiers
- CAS
68128-94-9- PubChem CID
- 339970
- DTXSID
DTXSID30321053- Nikkaji
- J584.900D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 111 to · 111.0 to 115.0 °C
- Boiling point
- 288.3 · 288.3±40.0 °C(Predicted)
- Density
- 1.795 · 1.795±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- Dark green to Dark red to Black
- HS Code
- 2934.99 · 2934.99.4400
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
- hs_code
- 2934.99.4400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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