3,3,4,4,4-Pentafluorobutane-1-thiol
TL;DR: 3,3,4,4,4-Pentafluorobutane-1-thiol (CAS 87851-78-3) is a chemical compound with molecular formula C4H5F5S and molecular weight 180.00322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,4,4,4-pentafluorobutane-1-thiol
Also Known As: 2:2 fluorotelomer thiol, 3,3,4,4,4-pentafluorobutane-1-thiol, Thiols, C4-10, gamma-omega-perfluoro, 2-(Pentafluoroethyl)ethanethiol, Perluoroalkyl(C2-C8)ethyl mercaptan
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5F5S |
| Molecular Weight | 180.00322 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.00322 Da |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
| SMILES | C(CS)C(C(F)(F)F)(F)F |
| InChIKey | WEILNYJKAUGBAU-UHFFFAOYSA-N |
Chemical Property Profile of 3,3,4,4,4-Pentafluorobutane-1-thiol
Property Insights of 3,3,4,4,4-Pentafluorobutane-1-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,4,4-Pentafluorobutane-1-thiol. With a topological polar surface area (TPSA) of 1.0 Ų, 3,3,4,4,4-Pentafluorobutane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,4,4-Pentafluorobutane-1-thiol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3,4,4,4-Pentafluorobutane-1-thiol?
The CAS number of 3,3,4,4,4-Pentafluorobutane-1-thiol is 87851-78-3.
What is the molecular formula of 3,3,4,4,4-Pentafluorobutane-1-thiol?
The molecular formula of 3,3,4,4,4-Pentafluorobutane-1-thiol is C4H5F5S.
What is the molecular weight of 3,3,4,4,4-Pentafluorobutane-1-thiol?
The molecular weight of 3,3,4,4,4-Pentafluorobutane-1-thiol is 180.00322 g/mol.
Where can I buy 3,3,4,4,4-Pentafluorobutane-1-thiol?
You can request a quote for 3,3,4,4,4-Pentafluorobutane-1-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,4,4,4-Pentafluorobutane-1-thiol?
Yes, CoreyChem provides custom synthesis services for 3,3,4,4,4-Pentafluorobutane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.