3-Heptyl-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one (CAS 39137-05-8) is a chemical compound with molecular formula C10H17NOS2 and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-heptyl-2-thioxo-1,3-thiazolidin-4-one, 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one, 4-Thiazolidinone, 3-heptyl-2-thioxo-, 3-Heptyl-2-thioxo-4-thiazolidinone, 3-heptyl-2-thioxo-thiazolidin-4-one
| Molecular Formula | C10H17NOS2 |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 2.8171 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.07515 |
| Heavy Atoms | 14 |
| Complexity | 202.16754 |
Chemical Identifiers
| CAS Number | 39137-05-8 |
|---|---|
| SMILES | CCCCCCCN1C(=O)CSC1=S |
Product Overview
3-Heptyl-2-thioxo-1,3-thiazolidin-4-one (CAS 39137-05-8), with molecular formula C10H17NOS2 and molecular weight 231.08 g/mol. IUPAC: 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.8171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one. With a topological polar surface area (TPSA) of 20.31 Ų, 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 3 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-Heptyl-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one is 39137-05-8.
What is the molecular formula of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one is C10H17NOS2.
What is the molecular weight of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one is 231.08 g/mol.
Where can I buy 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-Heptyl-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 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.