Thianthrene, octafluoro-
TL;DR: Thianthrene, octafluoro- (CAS 16012-83-2) is a chemical compound with molecular formula C12F8S2 and molecular weight 359.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,8,9-octafluorothianthrene
Also Known As: Octafluorothianthrene, Thianthrene, octafluoro-, perfluorothianthrene, octafluoro-thianthrene, 1,2,3,4,6,7,8,9-Octafluorothianthrene
| Molecular Formula | C12F8S2 |
|---|---|
| Molecular Weight | 359.93 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 359.93137 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 16012-83-2 |
|---|---|
| SMILES | C1(=C(C(=C2C(=C1F)SC3=C(C(=C(C(=C3S2)F)F)F)F)F)F)F |
| InChIKey | BCMGBEQPFANKSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thianthrene, octafluoro- (CAS 16012-83-2), with molecular formula C12F8S2 and molecular weight 359.93 g/mol. IUPAC: 1,2,3,4,6,7,8,9-octafluorothianthrene.
Chemical Property Profile of Thianthrene, octafluoro-
Property Insights of Thianthrene, octafluoro-
The XLogP value of 4.9 indicates that Thianthrene, octafluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Thianthrene, octafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thianthrene, octafluoro- has 0 hydrogen bond donor(s) and 10 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 Thianthrene, octafluoro-?
The CAS number of Thianthrene, octafluoro- is 16012-83-2.
What is the molecular formula of Thianthrene, octafluoro-?
The molecular formula of Thianthrene, octafluoro- is C12F8S2.
What is the molecular weight of Thianthrene, octafluoro-?
The molecular weight of Thianthrene, octafluoro- is 359.93 g/mol.
Where can I buy Thianthrene, octafluoro-?
You can request a quote for Thianthrene, octafluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thianthrene, octafluoro-?
Yes, KEHONG BIO provides custom synthesis services for Thianthrene, octafluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.