Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester
TL;DR: Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester (CAS 133886-75-6) is a chemical compound with molecular formula C12H15ClNO4PS2 and molecular weight 366.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[[ethoxy(ethylsulfanyl)phosphoryl]sulfanylmethyl]-1,3-benzoxazol-2-one
Also Known As: Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester, 6-chloro-3-[(ethoxy-ethylsulfanyl-phosphoryl)sulfanylmethyl]benzooxazol-2-one, 6-chloro-3-[[ethoxy(ethylsulfanyl)phosphoryl]sulfanylmethyl]-1,3-benzoxazol-2-one, S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,S-diethyl phosphorodithioate
| Molecular Formula | C12H15ClNO4PS2 |
|---|---|
| Molecular Weight | 366.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.98688 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 133886-75-6 |
|---|---|
| SMILES | CCOP(=O)(SCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O |
| InChIKey | GRHITXUAAYJDGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester (CAS 133886-75-6), with molecular formula C12H15ClNO4PS2 and molecular weight 366.99 g/mol. IUPAC: 6-chloro-3-[[ethoxy(ethylsulfanyl)phosphoryl]sulfanylmethyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester
Property Insights of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester
The XLogP value of 3.0 indicates that Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester has 0 hydrogen bond donor(s) and 6 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, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester?
The CAS number of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester is 133886-75-6.
What is the molecular formula of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester?
The molecular formula of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester is C12H15ClNO4PS2.
What is the molecular weight of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester?
The molecular weight of Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester is 366.99 g/mol.
Where can I buy Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester?
You can request a quote for Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl 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, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,S-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.