Diallyl thiodiacetate
TL;DR: Diallyl thiodiacetate (CAS 6303-03-3) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate
Also Known As: Diallyl thiodiacetate, Acetic acid, diallyl ester, ACETIC ACID, THIODI-, DIALLYL ESTER, Thiodiacetic acid diallyl ester, Dimethylsulfide-.alpha., diallyl ester
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6303-03-3 |
|---|---|
| SMILES | C=CCOC(=O)CSCC(=O)OCC=C |
| InChIKey | ABEBWTHQUYXXHD-UHFFFAOYSA-N |
Product Overview
Diallyl thiodiacetate (CAS 6303-03-3), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate.
Chemical Property Profile of Diallyl thiodiacetate
Property Insights of Diallyl thiodiacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl thiodiacetate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diallyl thiodiacetate. Following Lipinski's Rule of Five, Diallyl thiodiacetate 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 Diallyl thiodiacetate?
The CAS number of Diallyl thiodiacetate is 6303-03-3.
What is the molecular formula of Diallyl thiodiacetate?
The molecular formula of Diallyl thiodiacetate is C10H14O4S.
What is the molecular weight of Diallyl thiodiacetate?
The molecular weight of Diallyl thiodiacetate is 230.06 g/mol.
Where can I buy Diallyl thiodiacetate?
You can request a quote for Diallyl thiodiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl thiodiacetate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl thiodiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.