3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one
TL;DR: 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one (CAS 79610-23-4) is a chemical compound with molecular formula C18H14N2OS3 and molecular weight 370.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one, 3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 4-Thiazolidinone, 5-(3-methyl-2(3H)-benzothiazolylidene)-3-(phenylmethyl)-2-thioxo-, 5-(3-methyl-2(3H)-benzothiazolylidene)-3-(phenylmethyl)-2-thioxo-4-Thiazolidinone, 3-benzyl-5-(3-methyl-3h-benzothiazol-2-ylidene)-2-thioxothiazolidin-4-one
| Molecular Formula | C18H14N2OS3 |
|---|---|
| Molecular Weight | 370.03 g/mol |
| LogP | 4.4581 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.02682 |
| Heavy Atoms | 24 |
| Complexity | 863.5774 |
Chemical Identifiers
| CAS Number | 79610-23-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4 |
Product Overview
3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one (CAS 79610-23-4), with molecular formula C18H14N2OS3 and molecular weight 370.03 g/mol. IUPAC: 3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one
Property Insights of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one
The XLogP value of 4.4581 indicates that 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-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-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one 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 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one?
The CAS number of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one is 79610-23-4.
What is the molecular formula of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one?
The molecular formula of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one is C18H14N2OS3.
What is the molecular weight of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one?
The molecular weight of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one is 370.03 g/mol.
Where can I buy 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one?
You can request a quote for 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-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-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.