1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
TL;DR: 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile (CAS 142096-13-7) is a chemical compound with molecular formula C10H12N2O2S2 and molecular weight 256.03403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
Also Known As: 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
Technical Specifications
| Molecular Formula | C10H12N2O2S2 |
| Molecular Weight | 256.03403 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.03403 Da |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
| SMILES | C1COCCSC(=C(SCCO1)C#N)C#N |
| InChIKey | ODJAJVAAPDLRIQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
Property Insights of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile. Following Lipinski's Rule of Five, 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile?
The CAS number of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile is 142096-13-7.
What is the molecular formula of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile?
The molecular formula of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile is C10H12N2O2S2.
What is the molecular weight of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile?
The molecular weight of 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile is 256.03403 g/mol.
Where can I buy 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile?
You can request a quote for 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.