![2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate structure](/static/products/6505/650592-75-9.webp)
2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
TL;DR: 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate (CAS 650592-75-9) is a chemical compound with molecular formula C22H28N4OS3 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate
Also Known As: 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate, [(6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]METHYL 4-BENZYLPIPERAZINE-1-CARBODITHIOATE, [2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate, 2-((6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)amino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate, 2-{[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
| Molecular Formula | C22H28N4OS3 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 4.0423 |
| Topological Polar Surface Area | 48.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.14252 |
| Heavy Atoms | 30 |
| Complexity | 877.76276 |
Chemical Identifiers
| CAS Number | 650592-75-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=N2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate (CAS 650592-75-9), with molecular formula C22H28N4OS3 and molecular weight 460.14 g/mol. IUPAC: [2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate.
Chemical Property Profile of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
Property Insights of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
The XLogP value of 4.0423 indicates that 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 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 48.47 Ų, 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate has 1 hydrogen bond donor(s) and 6 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 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The CAS number of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is 650592-75-9.
What is the molecular formula of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The molecular formula of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is C22H28N4OS3.
What is the molecular weight of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The molecular weight of 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is 460.14 g/mol.
Where can I buy 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
You can request a quote for 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 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 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-benzylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.