2-Phenyl-2-thiomorpholinoacetonitrile
TL;DR: 2-Phenyl-2-thiomorpholinoacetonitrile (CAS 128407-23-8) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-thiomorpholin-4-ylacetonitrile
Also Known As: 2-PHENYL-2-THIOMORPHOLINOACETONITRILE, Maybridge3_004521, 2-phenyl-2-thiomorpholin-4-ylacetonitrile, Phenyl(4-thiomorpholinyl)acetonitrile, 2-phenyl-2-thiomorpholino-acetonitrile
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.30008 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 338.3898 |
Chemical Identifiers
| CAS Number | 128407-23-8 |
|---|---|
| SMILES | C1CSCCN1C(C#N)C2=CC=CC=C2 |
Product Overview
2-Phenyl-2-thiomorpholinoacetonitrile (CAS 128407-23-8), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 2-phenyl-2-thiomorpholin-4-ylacetonitrile.
Chemical Property Profile of 2-Phenyl-2-thiomorpholinoacetonitrile
Property Insights of 2-Phenyl-2-thiomorpholinoacetonitrile
The XLogP value of 2.30008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2-thiomorpholinoacetonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 2-Phenyl-2-thiomorpholinoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-thiomorpholinoacetonitrile 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-Phenyl-2-thiomorpholinoacetonitrile?
The CAS number of 2-Phenyl-2-thiomorpholinoacetonitrile is 128407-23-8.
What is the molecular formula of 2-Phenyl-2-thiomorpholinoacetonitrile?
The molecular formula of 2-Phenyl-2-thiomorpholinoacetonitrile is C12H14N2S.
What is the molecular weight of 2-Phenyl-2-thiomorpholinoacetonitrile?
The molecular weight of 2-Phenyl-2-thiomorpholinoacetonitrile is 218.09 g/mol.
Where can I buy 2-Phenyl-2-thiomorpholinoacetonitrile?
You can request a quote for 2-Phenyl-2-thiomorpholinoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-thiomorpholinoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-thiomorpholinoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.