![3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile structure](/static/products/6522/6522-02-7.webp)
3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile
TL;DR: 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile (CAS 6522-02-7) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile
Also Known As: 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.25758 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 646.3499 |
Chemical Identifiers
| CAS Number | 6522-02-7 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC=C(C=C2)N(C)CCC#N)SC1=S |
Product Overview
3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile (CAS 6522-02-7), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile.
Chemical Property Profile of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile
Property Insights of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile
The XLogP value of 3.25758 indicates that 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile 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-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile?
The CAS number of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile is 6522-02-7.
What is the molecular formula of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile?
The molecular formula of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile is C16H17N3OS2.
What is the molecular weight of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile?
The molecular weight of 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile is 331.08 g/mol.
Where can I buy 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile?
You can request a quote for 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.