3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 332413-63-5) is a chemical compound with molecular formula C18H13ClN2OS3 and molecular weight 403.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(5-chloro-3-methyl(3-hydrobenzothiazol-2-ylidene))-3-benzyl-2-thioxo-1,3-thi azolidin-4-one
| Molecular Formula | C18H13ClN2OS3 |
|---|---|
| Molecular Weight | 403.99 g/mol |
| LogP | 5.1115 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.98785 |
| Heavy Atoms | 25 |
| Complexity | 913.7921 |
Chemical Identifiers
| CAS Number | 332413-63-5 |
|---|---|
| SMILES | CN\1C2=C(C=CC(=C2)Cl)S/C1=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 332413-63-5), with molecular formula C18H13ClN2OS3 and molecular weight 403.99 g/mol. IUPAC: (5Z)-3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 5.1115 indicates that 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one is 332413-63-5.
What is the molecular formula of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one is C18H13ClN2OS3.
What is the molecular weight of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one is 403.99 g/mol.
Where can I buy 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.