5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde
TL;DR: 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde (CAS 87258-15-9) is a chemical compound with molecular formula C9H12O3S3 and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde
Also Known As: 4-formyl-5-(diethoxymethyl)-1,3-dithiole-2-thione, 2-Thioxo-5-(diethoxymethyl)-1,3-dithiol-4-carbaldehyde, 5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde, 5-(diethoxymethyl)-2-sulfanylidene-2H-1,3-dithiole-4-carbaldehyde, InChI=1/C9H12O3S3/c1-3-11-8(12-4-2)7-6(5-10)14-9(13)15-7/h5,8H,3-4H2,1-2H
| Molecular Formula | C9H12O3S3 |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 3.42319 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.99484 |
| Heavy Atoms | 15 |
| Complexity | 362.92462 |
Chemical Identifiers
| CAS Number | 87258-15-9 |
|---|---|
| SMILES | CCOC(C1=C(SC(=S)S1)C=O)OCC |
Product Overview
5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde (CAS 87258-15-9), with molecular formula C9H12O3S3 and molecular weight 263.99 g/mol. IUPAC: 5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde.
Chemical Property Profile of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde
Property Insights of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde
The XLogP value of 3.42319 indicates that 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde has 0 hydrogen bond donor(s) and 6 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-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde?
The CAS number of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde is 87258-15-9.
What is the molecular formula of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde?
The molecular formula of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde is C9H12O3S3.
What is the molecular weight of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde?
The molecular weight of 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde is 263.99 g/mol.
Where can I buy 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde?
You can request a quote for 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(Diethoxymethyl)-2-sulfanylidene-1,3-dithiole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.