3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione (CAS 77129-82-9) is a chemical compound with molecular formula C14H15NO3S and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione
Also Known As: 4-(3,4-Methylenedioxythiocinnamoyl)morpholine, 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione
| Molecular Formula | C14H15NO3S |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 2.0881 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.07727 |
| Heavy Atoms | 19 |
| Complexity | 509.4126 |
Chemical Identifiers
| CAS Number | 77129-82-9 |
|---|---|
| SMILES | C1COCCN1C(=S)C=CC2=CC3=C(C=C2)OCO3 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione (CAS 77129-82-9), with molecular formula C14H15NO3S and molecular weight 277.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione
The XLogP value of 2.0881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione. With a topological polar surface area (TPSA) of 30.93 Ų, 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione has 0 hydrogen bond donor(s) and 4 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-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione is 77129-82-9.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione is C14H15NO3S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione is 277.08 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.