(1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate
TL;DR: (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate (CAS 724779-39-9) is a chemical compound with molecular formula C20H21N3S4 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylsulfanylmethyl 4-benzylpiperazine-1-carbodithioate
Also Known As: (1,3-benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate, (benzo[d]thiazol-2-ylthio)methyl 4-benzylpiperazine-1-carbodithioate, (benzothiazol-2-ylthiomethylthio)[4-benzylpiperazinyl]methane-1-thione, 1,3-benzothiazol-2-ylsulfanylmethyl 4-benzylpiperazine-1-carbodithioate, Benzothiazol-2-ylsulfanylmethylsulfanyl-(4-benzylpiperazin-1-yl)methanethione
| Molecular Formula | C20H21N3S4 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 5.1818 |
| Topological Polar Surface Area | 19.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.06183 |
| Heavy Atoms | 27 |
| Complexity | 855.39294 |
Chemical Identifiers
| CAS Number | 724779-39-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)SCSC3=NC4=CC=CC=C4S3 |
Product Overview
(1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate (CAS 724779-39-9), with molecular formula C20H21N3S4 and molecular weight 431.06 g/mol. IUPAC: 1,3-benzothiazol-2-ylsulfanylmethyl 4-benzylpiperazine-1-carbodithioate.
Chemical Property Profile of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate
Property Insights of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate
The XLogP value of 5.1818 indicates that (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.37 Ų, (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate?
The CAS number of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate is 724779-39-9.
What is the molecular formula of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate?
The molecular formula of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate is C20H21N3S4.
What is the molecular weight of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate?
The molecular weight of (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate is 431.06 g/mol.
Where can I buy (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate?
You can request a quote for (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-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 4-benzylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzothiazol-2-ylsulfanyl)methyl 4-benzylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.