Thiomorpholine-2-carbonitrile
TL;DR: Thiomorpholine-2-carbonitrile (CAS 107904-01-8) is a chemical compound with molecular formula C5H8N2S and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiomorpholine-2-carbonitrile
Also Known As: Thiomorpholine-2-carbonitrile, 2-Thiomorpholinecarbonitrile
| Molecular Formula | C5H8N2S |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 0.21498 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04082 |
| Heavy Atoms | 8 |
| Complexity | 101.48652 |
Chemical Identifiers
| CAS Number | 107904-01-8 |
|---|---|
| SMILES | C1CSC(CN1)C#N |
Product Overview
Thiomorpholine-2-carbonitrile (CAS 107904-01-8), with molecular formula C5H8N2S and molecular weight 128.04 g/mol. IUPAC: thiomorpholine-2-carbonitrile.
Chemical Property Profile of Thiomorpholine-2-carbonitrile
Property Insights of Thiomorpholine-2-carbonitrile
The XLogP value of 0.21498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiomorpholine-2-carbonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, Thiomorpholine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiomorpholine-2-carbonitrile has 1 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 Thiomorpholine-2-carbonitrile?
The CAS number of Thiomorpholine-2-carbonitrile is 107904-01-8.
What is the molecular formula of Thiomorpholine-2-carbonitrile?
The molecular formula of Thiomorpholine-2-carbonitrile is C5H8N2S.
What is the molecular weight of Thiomorpholine-2-carbonitrile?
The molecular weight of Thiomorpholine-2-carbonitrile is 128.04 g/mol.
Where can I buy Thiomorpholine-2-carbonitrile?
You can request a quote for Thiomorpholine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiomorpholine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Thiomorpholine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.