3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione
TL;DR: 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione (CAS 6515-60-2) is a chemical compound with molecular formula C16H25N3S2 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-[2-(diethylamino)ethyl]-1,3,5-thiadiazinane-2-thione
Also Known As: 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione, 3-benzyl-5-[2-(diethylamino)ethyl]-1,3,5-thiadiazinane-2-thione, 5-[2-(Diethylamino)ethyl]tetrahydro-3-(phenylmethyl)-2H-1,3,5-thiadiazine-2-thione
| Molecular Formula | C16H25N3S2 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.149 |
| Heavy Atoms | 21 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6515-60-2 |
|---|---|
| SMILES | CCN(CC)CCN1CN(C(=S)SC1)CC2=CC=CC=C2 |
| InChIKey | CUKWCGLNAHPBJC-UHFFFAOYSA-N |
Product Overview
3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione (CAS 6515-60-2), with molecular formula C16H25N3S2 and molecular weight 323.15 g/mol. IUPAC: 3-benzyl-5-[2-(diethylamino)ethyl]-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione
Property Insights of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione
The XLogP value of 3.5 indicates that 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione. Following Lipinski's Rule of Five, 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-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-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione?
The CAS number of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione is 6515-60-2.
What is the molecular formula of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione?
The molecular formula of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione is C16H25N3S2.
What is the molecular weight of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione?
The molecular weight of 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione is 323.15 g/mol.
Where can I buy 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione?
You can request a quote for 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(2-diethylaminoethyl)-1,3,5-thiadiazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.