2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-
TL;DR: 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- (CAS 21808-80-0) is a chemical compound with molecular formula C14H20N2S2 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione
Also Known As: NCIStruc1_000753, NCIStruc2_001785, 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione, NCI60_001973, 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-
| Molecular Formula | C14H20N2S2 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.10678 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 21808-80-0 |
|---|---|
| SMILES | CCCCN1CN(C(=S)SC1)CC2=CC=CC=C2 |
| InChIKey | GKODUQFGYOBNMB-UHFFFAOYSA-N |
Product Overview
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- (CAS 21808-80-0), with molecular formula C14H20N2S2 and molecular weight 280.11 g/mol. IUPAC: 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-
Property Insights of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-
The XLogP value of 4.0 indicates that 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- 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-(phenylmethyl)-. Following Lipinski's Rule of Five, 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- 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-(phenylmethyl)-?
The CAS number of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- is 21808-80-0.
What is the molecular formula of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-?
The molecular formula of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- is C14H20N2S2.
What is the molecular weight of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-?
The molecular weight of 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- is 280.11 g/mol.
Where can I buy 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-?
You can request a quote for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- 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-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.