Thioxane-3-carbonitrile, 3-piperidyl-
TL;DR: Thioxane-3-carbonitrile, 3-piperidyl- (CAS 112799-07-2) is a chemical compound with molecular formula C11H18N2S and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ylthiane-3-carbonitrile
Also Known As: Thioxane-3-carbonitrile, 3-piperidyl-, 3-piperidin-1-ylthiane-3-carbonitrile, 3-cyano-3-(1-piperidinyl)-3,4,5,6-tetrahydro-2H-thiopyran, 3-(1-Piperidinyl)tetrahydro-2H-thiopyran-3-carbonitrile #
| Molecular Formula | C11H18N2S |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.11906 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 112799-07-2 |
|---|---|
| SMILES | C1CCN(CC1)C2(CCCSC2)C#N |
| InChIKey | IMYZVFFDFAAPLC-UHFFFAOYSA-N |
Product Overview
Thioxane-3-carbonitrile, 3-piperidyl- (CAS 112799-07-2), with molecular formula C11H18N2S and molecular weight 210.12 g/mol. IUPAC: 3-piperidin-1-ylthiane-3-carbonitrile.
Chemical Property Profile of Thioxane-3-carbonitrile, 3-piperidyl-
Property Insights of Thioxane-3-carbonitrile, 3-piperidyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioxane-3-carbonitrile, 3-piperidyl-. With a topological polar surface area (TPSA) of 52.3 Ų, Thioxane-3-carbonitrile, 3-piperidyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioxane-3-carbonitrile, 3-piperidyl- 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 Thioxane-3-carbonitrile, 3-piperidyl-?
The CAS number of Thioxane-3-carbonitrile, 3-piperidyl- is 112799-07-2.
What is the molecular formula of Thioxane-3-carbonitrile, 3-piperidyl-?
The molecular formula of Thioxane-3-carbonitrile, 3-piperidyl- is C11H18N2S.
What is the molecular weight of Thioxane-3-carbonitrile, 3-piperidyl-?
The molecular weight of Thioxane-3-carbonitrile, 3-piperidyl- is 210.12 g/mol.
Where can I buy Thioxane-3-carbonitrile, 3-piperidyl-?
You can request a quote for Thioxane-3-carbonitrile, 3-piperidyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioxane-3-carbonitrile, 3-piperidyl-?
Yes, KEHONG BIO provides custom synthesis services for Thioxane-3-carbonitrile, 3-piperidyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.