3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
TL;DR: 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 40307-40-2) is a chemical compound with molecular formula C9H6N2O3S2 and molecular weight 253.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(3-nitrophenyl)-2-thioxothiazolidin-4-one, 3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(3-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C9H6N2O3S2 |
|---|---|
| Molecular Weight | 253.98 g/mol |
| LogP | 1.9595 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.98198 |
| Heavy Atoms | 16 |
| Complexity | 473.39737 |
Chemical Identifiers
| CAS Number | 40307-40-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 40307-40-2), with molecular formula C9H6N2O3S2 and molecular weight 253.98 g/mol. IUPAC: 3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Property Insights of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
The XLogP value of 1.9595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-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-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The CAS number of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is 40307-40-2.
What is the molecular formula of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular formula of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is C9H6N2O3S2.
What is the molecular weight of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular weight of 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is 253.98 g/mol.
Where can I buy 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
You can request a quote for 3-(3-Nitrophenyl)-2-sulfanylidene-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-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.