Allyl dithiopropanoate
TL;DR: Allyl dithiopropanoate (CAS 41830-43-7) is a chemical compound with molecular formula C6H10S2 and molecular weight 146.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl propanedithioate
Also Known As: Allyl dithiopropanoate, prop-2-enyl propanedithioate, Allyl propanedithioate #, dithiopropionic acid allyl ester, Prop-2-en-1-yl propane(dithioate)
| Molecular Formula | C6H10S2 |
|---|---|
| Molecular Weight | 146.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0224 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 41830-43-7 |
|---|---|
| SMILES | CCC(=S)SCC=C |
| InChIKey | NNNUIUMYOFGHSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl dithiopropanoate (CAS 41830-43-7), with molecular formula C6H10S2 and molecular weight 146.02 g/mol. IUPAC: prop-2-enyl propanedithioate.
Chemical Property Profile of Allyl dithiopropanoate
Property Insights of Allyl dithiopropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl dithiopropanoate. With a topological polar surface area (TPSA) of 57.4 Ų, Allyl dithiopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl dithiopropanoate has 0 hydrogen bond donor(s) and 2 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 Allyl dithiopropanoate?
The CAS number of Allyl dithiopropanoate is 41830-43-7.
What is the molecular formula of Allyl dithiopropanoate?
The molecular formula of Allyl dithiopropanoate is C6H10S2.
What is the molecular weight of Allyl dithiopropanoate?
The molecular weight of Allyl dithiopropanoate is 146.02 g/mol.
Where can I buy Allyl dithiopropanoate?
You can request a quote for Allyl dithiopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl dithiopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl dithiopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.