3-Oxo-3-(thiomorpholin-4-yl)propanenitrile
TL;DR: 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile (CAS 15029-33-1) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-thiomorpholin-4-ylpropanenitrile
Also Known As: 3-oxo-3-(thiomorpholin-4-yl)propanenitrile, 4-cyanoacetyl-thiomorpholine, Maybridge1_001456, 3-oxo-3-thiomorpholin-4-ylpropanenitrile, 964-807-8
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 0.47548 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 181.36983 |
Chemical Identifiers
| CAS Number | 15029-33-1 |
|---|---|
| SMILES | C1CSCCN1C(=O)CC#N |
Product Overview
3-Oxo-3-(thiomorpholin-4-yl)propanenitrile (CAS 15029-33-1), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 3-oxo-3-thiomorpholin-4-ylpropanenitrile.
Chemical Property Profile of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile
Property Insights of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile
The XLogP value of 0.47548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile 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 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile?
The CAS number of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile is 15029-33-1.
What is the molecular formula of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile?
The molecular formula of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile is C7H10N2OS.
What is the molecular weight of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile?
The molecular weight of 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile is 170.05 g/mol.
Where can I buy 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile?
You can request a quote for 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.