S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate
TL;DR: S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate (CAS 321968-59-6) is a chemical compound with molecular formula C17H10BrNO2S2 and molecular weight 402.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl] 2-bromobenzenecarbothioate
Also Known As: S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate, S-[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl] 2-bromobenzenecarbothioate, (5E)-2-(2-BROMOBENZOYLSULFANYL)-5-(PHENYLMETHYLIDENE)-4,5-DIHYDRO-1,3-THIAZOL-4-ONE
| Molecular Formula | C17H10BrNO2S2 |
|---|---|
| Molecular Weight | 402.93 g/mol |
| LogP | 4.993 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.93362 |
| Heavy Atoms | 23 |
| Complexity | 831.4968 |
Chemical Identifiers
| CAS Number | 321968-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)SC(=O)C3=CC=CC=C3Br |
Product Overview
S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate (CAS 321968-59-6), with molecular formula C17H10BrNO2S2 and molecular weight 402.93 g/mol. IUPAC: S-[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl] 2-bromobenzenecarbothioate.
Chemical Property Profile of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate
Property Insights of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate
The XLogP value of 4.993 indicates that S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate has 0 hydrogen bond donor(s) and 4 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 S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate?
The CAS number of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate is 321968-59-6.
What is the molecular formula of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate?
The molecular formula of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate is C17H10BrNO2S2.
What is the molecular weight of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate?
The molecular weight of S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate is 402.93 g/mol.
Where can I buy S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate?
You can request a quote for S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.