Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester
TL;DR: Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester (CAS 99559-84-9) is a chemical compound with molecular formula C7H17O2PS2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methoxy(propan-2-ylsulfanyl)phosphoryl]sulfanylpropane
Also Known As: O-Methyl S,S-bis(1-methylethyl) dithiophosphate, Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester, O-Methyl S,S-di(propan-2-yl) phosphorodithioate, 2-[methoxy(propan-2-ylsulfanyl)phosphoryl]sulfanylpropane, RefChem:371186
| Molecular Formula | C7H17O2PS2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.04076 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 99559-84-9 |
|---|---|
| SMILES | CC(C)SP(=O)(OC)SC(C)C |
| InChIKey | HHFGBTPFKQMYEB-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester (CAS 99559-84-9), with molecular formula C7H17O2PS2 and molecular weight 228.04 g/mol. IUPAC: 2-[methoxy(propan-2-ylsulfanyl)phosphoryl]sulfanylpropane.
Chemical Property Profile of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester
Property Insights of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester has 0 hydrogen bond donor(s) and 4 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 Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester?
The CAS number of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester is 99559-84-9.
What is the molecular formula of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester?
The molecular formula of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester is C7H17O2PS2.
What is the molecular weight of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester?
The molecular weight of Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester is 228.04 g/mol.
Where can I buy Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester?
You can request a quote for Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.