(1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate
TL;DR: (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate (CAS 724779-33-3) is a chemical compound with molecular formula C14H16N2S4 and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylsulfanylmethyl piperidine-1-carbodithioate
Also Known As: ChemDiv3_006389, IDI1_024299, (1,3-benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate, BRD-K94013491-001-01-9, (benzothiazol-2-ylthiomethylthio)piperidylmethane-1-thione
| Molecular Formula | C14H16N2S4 |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 4.8499 |
| Topological Polar Surface Area | 16.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.01962 |
| Heavy Atoms | 20 |
| Complexity | 556.62634 |
Chemical Identifiers
| CAS Number | 724779-33-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCSC2=NC3=CC=CC=C3S2 |
Product Overview
(1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate (CAS 724779-33-3), with molecular formula C14H16N2S4 and molecular weight 340.02 g/mol. IUPAC: 1,3-benzothiazol-2-ylsulfanylmethyl piperidine-1-carbodithioate.
Chemical Property Profile of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate
Property Insights of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate
The XLogP value of 4.8499 indicates that (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.13 Ų, (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate has 0 hydrogen bond donor(s) and 5 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 (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate?
The CAS number of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate is 724779-33-3.
What is the molecular formula of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate?
The molecular formula of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate is C14H16N2S4.
What is the molecular weight of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate?
The molecular weight of (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate is 340.02 g/mol.
Where can I buy (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate?
You can request a quote for (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzothiazol-2-ylsulfanyl)methyl piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.