Formyltetrathiafulvalene
TL;DR: Formyltetrathiafulvalene (CAS 68128-94-9) is a chemical compound with molecular formula C7H4OS4 and molecular weight 231.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde
Also Known As: Formyltetrathiafulvalene, Formyl-TTF, 4-Formyltetrathiafulvalene, 4-monoformyl-tetrathiafulvalene, 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde
| Molecular Formula | C7H4OS4 |
|---|---|
| Molecular Weight | 231.91 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.9145 |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 68128-94-9 |
|---|---|
| SMILES | C1=CSC(=C2SC=C(S2)C=O)S1 |
| InChIKey | NDJHQJARYXJFDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Formyltetrathiafulvalene (CAS 68128-94-9), with molecular formula C7H4OS4 and molecular weight 231.91 g/mol. IUPAC: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde.
Chemical Property Profile of Formyltetrathiafulvalene
Property Insights of Formyltetrathiafulvalene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Formyltetrathiafulvalene. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Formyltetrathiafulvalene. Following Lipinski's Rule of Five, Formyltetrathiafulvalene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Formyltetrathiafulvalene?
The CAS number of Formyltetrathiafulvalene is 68128-94-9.
What is the molecular formula of Formyltetrathiafulvalene?
The molecular formula of Formyltetrathiafulvalene is C7H4OS4.
What is the molecular weight of Formyltetrathiafulvalene?
The molecular weight of Formyltetrathiafulvalene is 231.91 g/mol.
Where can I buy Formyltetrathiafulvalene?
You can request a quote for Formyltetrathiafulvalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formyltetrathiafulvalene?
Yes, KEHONG BIO provides custom synthesis services for Formyltetrathiafulvalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.