Bis(trimethylenedithio)tetrathiafulvalene
TL;DR: Bis(trimethylenedithio)tetrathiafulvalene (CAS 66946-49-4) is a chemical compound with molecular formula C12H12S8 and molecular weight 411.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepine
Also Known As: Bis(trimethylenedithio)tetrathiafulvalene, BPDT-TTF, BIS TETRATHIAFULVALENE, Bis(1,3-propylenedithio)tetrathiafulvalene, bis(propylenedithio)tetrathiafulvalene
| Molecular Formula | C12H12S8 |
|---|---|
| Molecular Weight | 411.87 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.87048 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 66946-49-4 |
|---|---|
| SMILES | C1CSC2=C(SC1)SC(=C3SC4=C(S3)SCCCS4)S2 |
| InChIKey | LSZPCLOYNFOXST-UHFFFAOYSA-N |
Product Overview
Bis(trimethylenedithio)tetrathiafulvalene (CAS 66946-49-4), with molecular formula C12H12S8 and molecular weight 411.87 g/mol. IUPAC: 2-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepine.
Chemical Property Profile of Bis(trimethylenedithio)tetrathiafulvalene
Property Insights of Bis(trimethylenedithio)tetrathiafulvalene
The XLogP value of 5.7 indicates that Bis(trimethylenedithio)tetrathiafulvalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting Bis(trimethylenedithio)tetrathiafulvalene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(trimethylenedithio)tetrathiafulvalene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(trimethylenedithio)tetrathiafulvalene?
The CAS number of Bis(trimethylenedithio)tetrathiafulvalene is 66946-49-4.
What is the molecular formula of Bis(trimethylenedithio)tetrathiafulvalene?
The molecular formula of Bis(trimethylenedithio)tetrathiafulvalene is C12H12S8.
What is the molecular weight of Bis(trimethylenedithio)tetrathiafulvalene?
The molecular weight of Bis(trimethylenedithio)tetrathiafulvalene is 411.87 g/mol.
Where can I buy Bis(trimethylenedithio)tetrathiafulvalene?
You can request a quote for Bis(trimethylenedithio)tetrathiafulvalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(trimethylenedithio)tetrathiafulvalene?
Yes, KEHONG BIO provides custom synthesis services for Bis(trimethylenedithio)tetrathiafulvalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.