9H-thioxanthen-9-ylidenepropanedinitrile
TL;DR: 9H-thioxanthen-9-ylidenepropanedinitrile (CAS 6788-63-2) is a chemical compound with molecular formula C16H8N2S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thioxanthen-9-ylidenepropanedinitrile
Also Known As: 9H-thioxanthen-9-ylidenepropanedinitrile, 2-thioxanthen-9-ylidenepropanedinitrile, (9H-Thioxanthen-9-ylidene)propanedinitrile, propanedinitrile, 2-(9H-thioxanthen-9-ylidene)-
| Molecular Formula | C16H8N2S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.04083 |
| Heavy Atoms | 19 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 6788-63-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=CC=CC=C3S2 |
| InChIKey | XDQPCEIUOGNUHS-UHFFFAOYSA-N |
Product Overview
9H-thioxanthen-9-ylidenepropanedinitrile (CAS 6788-63-2), with molecular formula C16H8N2S and molecular weight 260.04 g/mol. IUPAC: 2-thioxanthen-9-ylidenepropanedinitrile.
Chemical Property Profile of 9H-thioxanthen-9-ylidenepropanedinitrile
Property Insights of 9H-thioxanthen-9-ylidenepropanedinitrile
The XLogP value of 3.4 indicates that 9H-thioxanthen-9-ylidenepropanedinitrile 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 9H-thioxanthen-9-ylidenepropanedinitrile. Following Lipinski's Rule of Five, 9H-thioxanthen-9-ylidenepropanedinitrile 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 9H-thioxanthen-9-ylidenepropanedinitrile?
The CAS number of 9H-thioxanthen-9-ylidenepropanedinitrile is 6788-63-2.
What is the molecular formula of 9H-thioxanthen-9-ylidenepropanedinitrile?
The molecular formula of 9H-thioxanthen-9-ylidenepropanedinitrile is C16H8N2S.
What is the molecular weight of 9H-thioxanthen-9-ylidenepropanedinitrile?
The molecular weight of 9H-thioxanthen-9-ylidenepropanedinitrile is 260.04 g/mol.
Where can I buy 9H-thioxanthen-9-ylidenepropanedinitrile?
You can request a quote for 9H-thioxanthen-9-ylidenepropanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-thioxanthen-9-ylidenepropanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 9H-thioxanthen-9-ylidenepropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.