| CAS Number | 68128-94-9 |
| Catalog Number | AG003QOV(AGN-PC-0JMDBE) |
| Chemical Name | 2-(1,3-Dithiol-2-ylidene)-1,3-dithiole-4-carboxaldehyde |
| IUPAC Name | 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde |
| InChI | InChI=1S/C7H4OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-4H |
| InChI Key | NDJHQJARYXJFDI-UHFFFAOYSA-N |
| MDL Number | MFCD00130128 |
| Molecular Formula | C7H4OS4 |
| Molecular Weight | 232.3661 |
| NSC Number | 369045 |
| SMILES | O=CC=1SC(SC1)=C2SC=CS2 |
| Synonyms | Formyltetrathiafulvalene,
Formyl-TTF,
68128-94-9,
2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde,
NSC369045,
4-monoformyl-tetrathiafulvalene,
AC1L7R69,
SCHEMBL9292734,
CTK2F8396,
DTXSID30321053,
ZINC1587064,
MFCD00130128,
NSC-369045,
F0285,
[2,2'-Bi(1,3-dithiolylidene)]-4-carboxaldehyde,
CID339970,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.348g/mol |
| Monoisotopic Mass | 231.914g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number