4,4',5,5'-bis(pentamethylene)tetrathiafulvalene
TL;DR: 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene (CAS 61940-34-9) is a chemical compound with molecular formula C16H20S4 and molecular weight 340.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]dithiol-2-ylidene)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]dithiole
Also Known As: 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene, 9-(8,10-dithiabicyclo[5.3.0]dec-11-en-9-ylidene)-8,10-dithiabicyclo[5.3.0]dec-11-ene, 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]dithiol-2-ylidene)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]dithiole
| Molecular Formula | C16H20S4 |
|---|---|
| Molecular Weight | 340.04 g/mol |
| LogP | 7.4244 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.0448 |
| Heavy Atoms | 20 |
| Complexity | 426.56992 |
Chemical Identifiers
| CAS Number | 61940-34-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C3SC4=C(S3)CCCCC4)S2 |
Product Overview
4,4',5,5'-bis(pentamethylene)tetrathiafulvalene (CAS 61940-34-9), with molecular formula C16H20S4 and molecular weight 340.04 g/mol. IUPAC: 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]dithiol-2-ylidene)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]dithiole.
Chemical Property Profile of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene
Property Insights of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene
The XLogP value of 7.4244 indicates that 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene?
The CAS number of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene is 61940-34-9.
What is the molecular formula of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene?
The molecular formula of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene is C16H20S4.
What is the molecular weight of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene?
The molecular weight of 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene is 340.04 g/mol.
Where can I buy 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene?
You can request a quote for 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene?
Yes, KEHONG BIO provides custom synthesis services for 4,4',5,5'-bis(pentamethylene)tetrathiafulvalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.