5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one
TL;DR: 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one (CAS 1164552-45-7) is a chemical compound with molecular formula C13H12N2O2S2 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
Also Known As: 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one, (5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
| Molecular Formula | C13H12N2O2S2 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.5612 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.03403 |
| Heavy Atoms | 19 |
| Complexity | 612.4157 |
Chemical Identifiers
| CAS Number | 1164552-45-7 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)O3)C |
Product Overview
5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one (CAS 1164552-45-7), with molecular formula C13H12N2O2S2 and molecular weight 292.03 g/mol. IUPAC: (5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one.
Chemical Property Profile of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one
Property Insights of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one
The XLogP value of 2.5612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one. With a topological polar surface area (TPSA) of 32.78 Ų, 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-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 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one?
The CAS number of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one is 1164552-45-7.
What is the molecular formula of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one?
The molecular formula of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one is C13H12N2O2S2.
What is the molecular weight of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one?
The molecular weight of 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one is 292.03 g/mol.
Where can I buy 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one?
You can request a quote for 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.