O,O'-二甲基单硫代碳酸酯
TL;DR: O,O'-二甲基单硫代碳酸酯 (CAS 1115-13-5) is a chemical compound with molecular formula COC(=S)OC and molecular weight 106.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O,O'-二甲基单硫代碳酸酯
dimethoxymethanethione
Also Known As: methoxythioketone, dimethoxymethanethione, O,O'-Dimethyl monothiocarbonate, dimethoxycarbon sulfide, Dimethyl monothionocarbonate
| Molecular Formula | COC(=S)OC |
|---|---|
| Molecular Weight | 106.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.00885 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 1115-13-5 |
|---|---|
| SMILES | COC(=S)OC |
| InChIKey | BJIKOZOULYUROB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O'-二甲基单硫代碳酸酯 (CAS 1115-13-5), with molecular formula COC(=S)OC and molecular weight 106.01 g/mol. IUPAC: dimethoxymethanethione.
Chemical Property Profile of O,O'-二甲基单硫代碳酸酯
Property Insights of O,O'-二甲基单硫代碳酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O'-二甲基单硫代碳酸酯. With a topological polar surface area (TPSA) of 50.6 Ų, O,O'-二甲基单硫代碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O'-二甲基单硫代碳酸酯 has 0 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,O'-二甲基单硫代碳酸酯?
The CAS number of O,O'-二甲基单硫代碳酸酯 is 1115-13-5.
What is the molecular formula of O,O'-二甲基单硫代碳酸酯?
The molecular formula of O,O'-二甲基单硫代碳酸酯 is COC(=S)OC.
What is the molecular weight of O,O'-二甲基单硫代碳酸酯?
The molecular weight of O,O'-二甲基单硫代碳酸酯 is 106.01 g/mol.
Where can I buy O,O'-二甲基单硫代碳酸酯?
You can request a quote for O,O'-二甲基单硫代碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O'-二甲基单硫代碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for O,O'-二甲基单硫代碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.