![(2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione structure](/static/products/5738/57381-64-3.webp)
(2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
TL;DR: (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione (CAS 57381-64-3) is a chemical compound with molecular formula C13H15Cl2N3S and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
Also Known As: (2,6-dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione, (2,6-dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)m, (2,6-Dichlorophenyl)(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
| Molecular Formula | C13H15Cl2N3S |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.03638 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 57381-64-3 |
|---|---|
| SMILES | C1CN2CN(C1)CN(C2)C(=S)C3=C(C=CC=C3Cl)Cl |
| InChIKey | MHXKHIKAGJMKRN-UHFFFAOYSA-N |
Product Overview
(2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione (CAS 57381-64-3), with molecular formula C13H15Cl2N3S and molecular weight 315.04 g/mol. IUPAC: (2,6-dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione.
Chemical Property Profile of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
Property Insights of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
The XLogP value of 3.5 indicates that (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-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 (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione?
The CAS number of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione is 57381-64-3.
What is the molecular formula of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione?
The molecular formula of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione is C13H15Cl2N3S.
What is the molecular weight of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione?
The molecular weight of (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione is 315.04 g/mol.
Where can I buy (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione?
You can request a quote for (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.