2-(9-Ethylthioxanthen-9-yl)propanedinitrile
TL;DR: 2-(9-Ethylthioxanthen-9-yl)propanedinitrile (CAS 52962-57-9) is a chemical compound with molecular formula C18H14N2S and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-ethylthioxanthen-9-yl)propanedinitrile
Also Known As: 2-(9-ethylthioxanthen-9-yl)propanedinitrile, (9-Ethyl-9H-thioxanthen-9-yl)propanedinitrile
| Molecular Formula | C18H14N2S |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.08777 |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 52962-57-9 |
|---|---|
| SMILES | CCC1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N |
| InChIKey | OGHHRZRFGCGKGJ-UHFFFAOYSA-N |
Product Overview
2-(9-Ethylthioxanthen-9-yl)propanedinitrile (CAS 52962-57-9), with molecular formula C18H14N2S and molecular weight 290.09 g/mol. IUPAC: 2-(9-ethylthioxanthen-9-yl)propanedinitrile.
Chemical Property Profile of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile
Property Insights of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile
The XLogP value of 4.5 indicates that 2-(9-Ethylthioxanthen-9-yl)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(9-Ethylthioxanthen-9-yl)propanedinitrile. Following Lipinski's Rule of Five, 2-(9-Ethylthioxanthen-9-yl)propanedinitrile has 0 hydrogen bond donor(s) and 3 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 2-(9-Ethylthioxanthen-9-yl)propanedinitrile?
The CAS number of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile is 52962-57-9.
What is the molecular formula of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile?
The molecular formula of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile is C18H14N2S.
What is the molecular weight of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile?
The molecular weight of 2-(9-Ethylthioxanthen-9-yl)propanedinitrile is 290.09 g/mol.
Where can I buy 2-(9-Ethylthioxanthen-9-yl)propanedinitrile?
You can request a quote for 2-(9-Ethylthioxanthen-9-yl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9-Ethylthioxanthen-9-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(9-Ethylthioxanthen-9-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.