六氟丙硫酮
TL;DR: 六氟丙硫酮 (CAS 1490-33-1) is a chemical compound with molecular formula C3F6S and molecular weight 181.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氟丙硫酮
1,1,1,3,3,3-hexafluoropropane-2-thione
Also Known As: Hexafluorothioacetone, Perfluorothioacetone, hexafluoropropane-2-thione, Hexafluoro-2-propanethione, 1,1,1,3,3,3-hexafluoropropane-2-thione
| Molecular Formula | C3F6S |
|---|---|
| Molecular Weight | 181.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.9625 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 1490-33-1 |
|---|---|
| SMILES | C(=S)(C(F)(F)F)C(F)(F)F |
| InChIKey | DBNMHLDZMPEZCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氟丙硫酮 (CAS 1490-33-1), with molecular formula C3F6S and molecular weight 181.96 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropane-2-thione.
Chemical Property Profile of 六氟丙硫酮
Property Insights of 六氟丙硫酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氟丙硫酮. With a topological polar surface area (TPSA) of 32.1 Ų, 六氟丙硫酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氟丙硫酮 has 0 hydrogen bond donor(s) and 7 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 六氟丙硫酮?
The CAS number of 六氟丙硫酮 is 1490-33-1.
What is the molecular formula of 六氟丙硫酮?
The molecular formula of 六氟丙硫酮 is C3F6S.
What is the molecular weight of 六氟丙硫酮?
The molecular weight of 六氟丙硫酮 is 181.96 g/mol.
Where can I buy 六氟丙硫酮?
You can request a quote for 六氟丙硫酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氟丙硫酮?
Yes, KEHONG BIO provides custom synthesis services for 六氟丙硫酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.