Dithyreanitrile
TL;DR: Dithyreanitrile (CAS 128717-80-6) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(7-methoxy-1H-indol-3-yl)-2,2-bis(methylsulfanyl)acetonitrile
Also Known As: Dithyreanitrile, 2-(7-methoxy-1H-indol-3-yl)-2,2-bis(methylsulfanyl)acetonitrile, 1H-Indole-3-acetonitrile, 7-methoxy-alpha,alpha-bis(methylthio)-, 7-Methoxy-alpha,alpha-bis(methylthio)-1H-indole-3-acetonitrile, (7-Methoxy-1H-indol-3-yl)bis(methylsulfanyl)acetonitrile
Technical Specifications
| Molecular Formula | C13H14N2OS2 |
| Molecular Weight | 278.05475 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.05475 Da |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
| SMILES | COC1=CC=CC2=C1NC=C2C(C#N)(SC)SC |
| InChIKey | AUNKBAZALTWNQR-UHFFFAOYSA-N |
Chemical Property Profile of Dithyreanitrile
Property Insights of Dithyreanitrile
The XLogP value of 3.0 indicates that Dithyreanitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithyreanitrile. Following Lipinski's Rule of Five, Dithyreanitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dithyreanitrile?
The CAS number of Dithyreanitrile is 128717-80-6.
What is the molecular formula of Dithyreanitrile?
The molecular formula of Dithyreanitrile is C13H14N2OS2.
What is the molecular weight of Dithyreanitrile?
The molecular weight of Dithyreanitrile is 278.05475 g/mol.
Where can I buy Dithyreanitrile?
You can request a quote for Dithyreanitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dithyreanitrile?
Yes, CoreyChem provides custom synthesis services for Dithyreanitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.