1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione
TL;DR: 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione (CAS 77129-70-5) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione
Also Known As: 1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione, 3,4-Dioxymethylenethiobenzopiperidide, 1,3-Benzodioxol-5-yl-1-piperidinylmethanethione, J1.019.545D, 1-(1,3-benzodioxol-5-ylcarbothioyl)piperidine
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 77129-70-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 |
| InChIKey | GRKFQNCLGKIJKV-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione (CAS 77129-70-5), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: 1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione.
Chemical Property Profile of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione
Property Insights of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione. With a topological polar surface area (TPSA) of 53.8 Ų, 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione 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 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione?
The CAS number of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione is 77129-70-5.
What is the molecular formula of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione?
The molecular formula of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione is C13H15NO2S.
What is the molecular weight of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione?
The molecular weight of 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione is 249.08 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione?
You can request a quote for 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.