(2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile
TL;DR: (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile (CAS 10126-00-8) is a chemical compound with molecular formula C8H14N2S2 and molecular weight 202.05984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4,6-trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile
Also Known As: Mitraphyllic acid, Isomitraphyllic acid, KST-1A0338, (2,4,6-trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile, 2-(2,4,6-trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile
Technical Specifications
| Molecular Formula | C8H14N2S2 |
| Molecular Weight | 202.05984 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.05984 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | CC1N(C(SC(S1)C)C)CC#N |
| InChIKey | AMKUTJSOXLSNNY-UHFFFAOYSA-N |
Chemical Property Profile of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile
Property Insights of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile. Following Lipinski's Rule of Five, (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile 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
What is the CAS number of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile?
The CAS number of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile is 10126-00-8.
What is the molecular formula of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile?
The molecular formula of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile is C8H14N2S2.
What is the molecular weight of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile?
The molecular weight of (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile is 202.05984 g/mol.
Where can I buy (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile?
You can request a quote for (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for (2,4,6-Trimethyl-1,3,5-dithiazinan-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.