5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione
TL;DR: 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione (CAS 727664-34-8) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione
Also Known As: 5-(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione, A3735/0158310, 5-(benzo[d][1,3]dioxol-5-ylmethyl)-1,3,5-triazinane-2-thione, 1,3,5-Triazine-2(1H)-thione, 5-(1,3-benzodioxol-5-ylmethyl)tetrahydro-, 5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1,3,5-TRIAZINANE-2-THIONE
| Molecular Formula | C11H13N3O2S |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 0.61 |
| Topological Polar Surface Area | 45.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07285 |
| Heavy Atoms | 17 |
| Complexity | 442.3427 |
Chemical Identifiers
| CAS Number | 727664-34-8 |
|---|---|
| SMILES | C1NC(=S)NCN1CC2=CC3=C(C=C2)OCO3 |
Product Overview
5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione (CAS 727664-34-8), with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione
Property Insights of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione
The XLogP value of 0.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 45.76 Ų, 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione has 2 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 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione is 727664-34-8.
What is the molecular formula of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione is C11H13N3O2S.
What is the molecular weight of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione is 251.07 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.