Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester
TL;DR: Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester (CAS 86073-16-7) is a chemical compound with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylbutane
Also Known As: 2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylbutane, 2-(ethoxy-propylsulfanyl-phosphoryl)sulfanylbutane, Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester, S-Butan-2-yl O-ethyl S-propyl phosphorodithioate, S-(Butan-2-yl) O-ethyl S-propyl phosphorodithioate
| Molecular Formula | C9H21O2PS2 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.07205 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 86073-16-7 |
|---|---|
| SMILES | CCCSP(=O)(OCC)SC(C)CC |
| InChIKey | MWUGFEVHLAQJQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester (CAS 86073-16-7), with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol. IUPAC: 2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylbutane.
Chemical Property Profile of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester
Property Insights of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl 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-ethyl S-(1-methylpropyl) S-propyl ester?
The CAS number of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester is 86073-16-7.
What is the molecular formula of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester?
The molecular formula of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester is C9H21O2PS2.
What is the molecular weight of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester?
The molecular weight of Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester is 256.07 g/mol.
Where can I buy Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester?
You can request a quote for Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl 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-ethyl S-(1-methylpropyl) S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O-ethyl S-(1-methylpropyl) S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.