(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 881562-77-2) is a chemical compound with molecular formula C17H10BrN3OS2 and molecular weight 414.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzimidazol-2-ylidenemethyl)-3-(3-bromophenyl)-4-hydroxy-1,3-thiazole-2-thione
Also Known As: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-3-(3-bromophenyl)-2-thioxothiazolidin-4-one, 5-(benzimidazol-2-ylmethylene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-on e, (5E)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C17H10BrN3OS2 |
|---|---|
| Molecular Weight | 414.94 g/mol |
| LogP | 3.98779 |
| Topological Polar Surface Area | 49.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.9449 |
| Heavy Atoms | 24 |
| Complexity | 1124.0641 |
Chemical Identifiers
| CAS Number | 881562-77-2 |
|---|---|
| SMILES | C1=CC2=NC(=CC3=C(N(C(=S)S3)C4=CC(=CC=C4)Br)O)N=C2C=C1 |
Product Overview
(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 881562-77-2), with molecular formula C17H10BrN3OS2 and molecular weight 414.94 g/mol. IUPAC: 5-(benzimidazol-2-ylidenemethyl)-3-(3-bromophenyl)-4-hydroxy-1,3-thiazole-2-thione.
Chemical Property Profile of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 3.98779 indicates that (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-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 49.88 Ų, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one has 1 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 (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one is 881562-77-2.
What is the molecular formula of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one is C17H10BrN3OS2.
What is the molecular weight of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one is 414.94 g/mol.
Where can I buy (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-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 (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.