![methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate structure](/static/products/5204/52046-75-0.webp)
methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate
TL;DR: methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate (CAS 52046-75-0) is a chemical compound with molecular formula C10H6N2O4S2 and molecular weight 281.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate
Also Known As: methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate, DIMETHYL-2,2-(1,3-DITHIAN-2,4-DIYLIDEN)-BIS-(CYANOACETATE), Dimethyl-2,2-(1,3-dithietan-2,4-diyliden)-bis-(2-cyanoacetate), 1,3-Propanedione,1-(4-hydroxyphenyl)-3-(4-methoxyphenyl), 1,3-Dithietane-2,4-diylidenebis(cyanoacetic acid methyl) ester
| Molecular Formula | C10H6N2O4S2 |
|---|---|
| Molecular Weight | 281.98 g/mol |
| LogP | -0.49584 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.9769 |
| Heavy Atoms | 18 |
| Complexity | 609.5759 |
Chemical Identifiers
| CAS Number | 52046-75-0 |
|---|---|
| SMILES | COC(=O)C(=C1SC(=C(C#N)C(=O)OC)S1)C#N |
Product Overview
methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate (CAS 52046-75-0), with molecular formula C10H6N2O4S2 and molecular weight 281.98 g/mol. IUPAC: methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate.
Chemical Property Profile of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate
Property Insights of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate
The XLogP value of -0.49584 indicates that methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate. Following Lipinski's Rule of Five, methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate has 0 hydrogen bond donor(s) and 8 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 methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate?
The CAS number of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate is 52046-75-0.
What is the molecular formula of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate?
The molecular formula of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate is C10H6N2O4S2.
What is the molecular weight of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate?
The molecular weight of methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate is 281.98 g/mol.
Where can I buy methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate?
You can request a quote for methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.