O-烯丙基二硫代碳酸酯
TL;DR: O-烯丙基二硫代碳酸酯 (CAS 6790-94-9) is a chemical compound with molecular formula C4H6OS2 and molecular weight 133.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-烯丙基二硫代碳酸酯
prop-2-enoxymethanedithioic acid
Also Known As: methanedithioic acid, allyloxy-, prop-2-enoxymethanedithioic acid, O-2-Propenyl ester carbonodithioic acid
| Molecular Formula | C4H6OS2 |
|---|---|
| Molecular Weight | 133.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.98601 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 6790-94-9 |
|---|---|
| SMILES | C=CCOC(=S)S |
| InChIKey | UJORDWJYFIZLOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-烯丙基二硫代碳酸酯 (CAS 6790-94-9), with molecular formula C4H6OS2 and molecular weight 133.99 g/mol. IUPAC: prop-2-enoxymethanedithioic acid.
Chemical Property Profile of O-烯丙基二硫代碳酸酯
Property Insights of O-烯丙基二硫代碳酸酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-烯丙基二硫代碳酸酯. With a topological polar surface area (TPSA) of 42.3 Ų, O-烯丙基二硫代碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-烯丙基二硫代碳酸酯 has 1 hydrogen bond donor(s) and 3 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 O-烯丙基二硫代碳酸酯?
The CAS number of O-烯丙基二硫代碳酸酯 is 6790-94-9.
What is the molecular formula of O-烯丙基二硫代碳酸酯?
The molecular formula of O-烯丙基二硫代碳酸酯 is C4H6OS2.
What is the molecular weight of O-烯丙基二硫代碳酸酯?
The molecular weight of O-烯丙基二硫代碳酸酯 is 133.99 g/mol.
Where can I buy O-烯丙基二硫代碳酸酯?
You can request a quote for O-烯丙基二硫代碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-烯丙基二硫代碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for O-烯丙基二硫代碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.