3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione
TL;DR: 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione (CAS 93429-24-4) is a chemical compound with molecular formula C13H18N2S2 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-propan-2-yl-1,3,5-thiadiazinane-2-thione
Also Known As: 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione, ChemDiv3_012881, 3-benzyl-5-propan-2-yl-1,3,5-thiadiazinane-2-thione, NCI60_001263, AE-641/30609004
| Molecular Formula | C13H18N2S2 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.09116 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 93429-24-4 |
|---|---|
| SMILES | CC(C)N1CN(C(=S)SC1)CC2=CC=CC=C2 |
| InChIKey | UNAZWQQECWZDDN-UHFFFAOYSA-N |
Product Overview
3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione (CAS 93429-24-4), with molecular formula C13H18N2S2 and molecular weight 266.09 g/mol. IUPAC: 3-benzyl-5-propan-2-yl-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione
Property Insights of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione
The XLogP value of 3.6 indicates that 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione. Following Lipinski's Rule of Five, 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione 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 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione?
The CAS number of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione is 93429-24-4.
What is the molecular formula of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione?
The molecular formula of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione is C13H18N2S2.
What is the molecular weight of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione?
The molecular weight of 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione is 266.09 g/mol.
Where can I buy 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione?
You can request a quote for 3-Benzyl-5-isopropyl-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-isopropyl-1,3,5-thiadiazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.