2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-
TL;DR: 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- (CAS 26838-20-0) is a chemical compound with molecular formula C13H16BrClN2S2 and molecular weight 377.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3-chlorophenyl)-5-butyl-1,3,5-thiadiazinane-2-thione
Also Known As: 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-, 3-(4-bromo-3-chlorophenyl)-5-butyl-1,3,5-thiadiazinane-2-thione, Tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-2H-1,3,5-thiadiazine-2-thione, 2-Thio-3-benzyl-5-aethyl-tetrahydro-1,3,5-thiadiazin, 2H-1,3,5-Thiadiazine-2-thione,3-(4-bromo-3-chlorophenyl)-5-butyltetrahydro-
| Molecular Formula | C13H16BrClN2S2 |
|---|---|
| Molecular Weight | 377.96 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.96268 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 26838-20-0 |
|---|---|
| SMILES | CCCCN1CN(C(=S)SC1)C2=CC(=C(C=C2)Br)Cl |
| InChIKey | WLLBIFQKYXMWKW-UHFFFAOYSA-N |
Product Overview
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- (CAS 26838-20-0), with molecular formula C13H16BrClN2S2 and molecular weight 377.96 g/mol. IUPAC: 3-(4-bromo-3-chlorophenyl)-5-butyl-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-
Property Insights of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-
The XLogP value of 5.4 indicates that 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- 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-3-(4-bromo-3-chlorophenyl)-5-butyl-. Following Lipinski's Rule of Five, 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-?
The CAS number of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- is 26838-20-0.
What is the molecular formula of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-?
The molecular formula of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- is C13H16BrClN2S2.
What is the molecular weight of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-?
The molecular weight of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- is 377.96 g/mol.
Where can I buy 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-?
You can request a quote for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- 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-3-(4-bromo-3-chlorophenyl)-5-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.