![3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione structure](/static/products/3011/301194-76-3.webp)
3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione
TL;DR: 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione (CAS 301194-76-3) is a chemical compound with molecular formula C18H17Cl2N3S2 and molecular weight 409.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione
Also Known As: 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione, AA-768/37210003, 3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione, 3-{[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl}-2,3-dihydro-1,3-benzothiazole-2-thione, 3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]benzothiazole-2-thione
| Molecular Formula | C18H17Cl2N3S2 |
|---|---|
| Molecular Weight | 409.02 g/mol |
| LogP | 5.51879 |
| Topological Polar Surface Area | 11.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.0241 |
| Heavy Atoms | 25 |
| Complexity | 958.35474 |
Chemical Identifiers
| CAS Number | 301194-76-3 |
|---|---|
| SMILES | C1CN(CCN1CN2C3=CC=CC=C3SC2=S)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione (CAS 301194-76-3), with molecular formula C18H17Cl2N3S2 and molecular weight 409.02 g/mol. IUPAC: 3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione
Property Insights of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione
The XLogP value of 5.51879 indicates that 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 11.41 Ų, 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione?
The CAS number of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione is 301194-76-3.
What is the molecular formula of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione?
The molecular formula of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione is C18H17Cl2N3S2.
What is the molecular weight of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione?
The molecular weight of 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione is 409.02 g/mol.
Where can I buy 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione?
You can request a quote for 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(3,4-dichlorophenyl)piperazino]methyl}-1,3-benzothiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.