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Dimethyl [bis(methylsulfanyl)methyl]phosphonate
TL;DR: Dimethyl [bis(methylsulfanyl)methyl]phosphonate (CAS 61779-87-1) is a chemical compound with molecular formula C5H13O3PS2 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxyphosphoryl-bis(methylsulfanyl)methane
Also Known As: dimethoxyphosphoryl-bis(methylsulfanyl)methane, Dimethyl [bis(methylsulfanyl)methyl]phosphonate, DIMETHYL[BIS(METHYLTHIO)METHYL] PHOSPHONATE, Phosphonicacid, P-[bis(methylthio)methyl]-, dimethyl ester, (Bis-methylsulfanyl-methyl)-phosphonic acid dimethyl ester
| Molecular Formula | C5H13O3PS2 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 2.4819 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.00438 |
| Heavy Atoms | 11 |
| Complexity | 140.66296 |
Chemical Identifiers
| CAS Number | 61779-87-1 |
|---|---|
| SMILES | COP(=O)(C(SC)SC)OC |
Product Overview
Dimethyl [bis(methylsulfanyl)methyl]phosphonate (CAS 61779-87-1), with molecular formula C5H13O3PS2 and molecular weight 216.00 g/mol. IUPAC: dimethoxyphosphoryl-bis(methylsulfanyl)methane.
Chemical Property Profile of Dimethyl [bis(methylsulfanyl)methyl]phosphonate
Property Insights of Dimethyl [bis(methylsulfanyl)methyl]phosphonate
The XLogP value of 2.4819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl [bis(methylsulfanyl)methyl]phosphonate. With a topological polar surface area (TPSA) of 35.53 Ų, Dimethyl [bis(methylsulfanyl)methyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl [bis(methylsulfanyl)methyl]phosphonate 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 Dimethyl [bis(methylsulfanyl)methyl]phosphonate?
The CAS number of Dimethyl [bis(methylsulfanyl)methyl]phosphonate is 61779-87-1.
What is the molecular formula of Dimethyl [bis(methylsulfanyl)methyl]phosphonate?
The molecular formula of Dimethyl [bis(methylsulfanyl)methyl]phosphonate is C5H13O3PS2.
What is the molecular weight of Dimethyl [bis(methylsulfanyl)methyl]phosphonate?
The molecular weight of Dimethyl [bis(methylsulfanyl)methyl]phosphonate is 216.00 g/mol.
Where can I buy Dimethyl [bis(methylsulfanyl)methyl]phosphonate?
You can request a quote for Dimethyl [bis(methylsulfanyl)methyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl [bis(methylsulfanyl)methyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl [bis(methylsulfanyl)methyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.