2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-
TL;DR: 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- (CAS 26825-94-5) is a chemical compound with molecular formula C13H17ClN2S2 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-3-(4-chlorophenyl)-1,3,5-thiadiazinane-2-thione
Also Known As: 5-butyl-3-(4-chlorophenyl)-1,3,5-thiadiazinane-2-thione, 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-, Tetrahydro-5-butyl-3-(p-chlorophenyl)-2H-1,3,5-thiadiazine-2-thione, 2-Thioxo-5-butyl-3-<4-chlor-phenyl>-tetrahydro-1,3,5-thiadiazin, 2H-1,3,5-Thiadiazine-2-thione,5-butyl-3-(4-chlorophenyl)tetrahydro-
| Molecular Formula | C13H17ClN2S2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.05215 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 26825-94-5 |
|---|---|
| SMILES | CCCCN1CN(C(=S)SC1)C2=CC=C(C=C2)Cl |
| InChIKey | BLJBPSAIWCSXAO-UHFFFAOYSA-N |
Product Overview
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- (CAS 26825-94-5), with molecular formula C13H17ClN2S2 and molecular weight 300.05 g/mol. IUPAC: 5-butyl-3-(4-chlorophenyl)-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-
Property Insights of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-
The XLogP value of 4.7 indicates that 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- 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 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-. Following Lipinski's Rule of Five, 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- 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 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-?
The CAS number of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- is 26825-94-5.
What is the molecular formula of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-?
The molecular formula of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- is C13H17ClN2S2.
What is the molecular weight of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-?
The molecular weight of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- is 300.05 g/mol.
Where can I buy 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-?
You can request a quote for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.