o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate
TL;DR: o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate (CAS 68083-31-8) is a chemical compound with molecular formula C16H12O2S2 and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (9-oxofluoren-3-yl)sulfanylmethanethioate
Also Known As: NCIOpen2_006144, o-ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate, O-ethyl (9-oxofluoren-3-yl)sulfanylmethanethioate
| Molecular Formula | C16H12O2S2 |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.02786 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 68083-31-8 |
|---|---|
| SMILES | CCOC(=S)SC1=CC2=C(C=C1)C(=O)C3=CC=CC=C32 |
| InChIKey | NBRTWNCGYVRNCS-UHFFFAOYSA-N |
Product Overview
o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate (CAS 68083-31-8), with molecular formula C16H12O2S2 and molecular weight 300.03 g/mol. IUPAC: O-ethyl (9-oxofluoren-3-yl)sulfanylmethanethioate.
Chemical Property Profile of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate
Property Insights of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate
The XLogP value of 4.9 indicates that o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate. Following Lipinski's Rule of Five, o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate has 0 hydrogen bond donor(s) and 4 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 o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate?
The CAS number of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate is 68083-31-8.
What is the molecular formula of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate?
The molecular formula of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate is C16H12O2S2.
What is the molecular weight of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate?
The molecular weight of o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate is 300.03 g/mol.
Where can I buy o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate?
You can request a quote for o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl s-(9-oxo-9h-fluoren-3-yl) carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.