Phosphorotrithioic acid, S,S,S-trimethyl ester
TL;DR: Phosphorotrithioic acid, S,S,S-trimethyl ester (CAS 681-71-0) is a chemical compound with molecular formula C3H9OPS3 and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(methylsulfanyl)phosphorylsulfanylmethane
Also Known As: S,S,S-Trimethyl phosphorotrithioate, SSSMe, Methyl phosphorotrithioate, S,S,S-trimethylphosphorotrithioate, bis(methylsulfanyl)phosphorylsulfanylmethane
| Molecular Formula | C3H9OPS3 |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.95532 |
| Heavy Atoms | 8 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 681-71-0 |
|---|---|
| SMILES | CSP(=O)(SC)SC |
| InChIKey | LDMSZRWIHYAPSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorotrithioic acid, S,S,S-trimethyl ester (CAS 681-71-0), with molecular formula C3H9OPS3 and molecular weight 187.96 g/mol. IUPAC: bis(methylsulfanyl)phosphorylsulfanylmethane.
Chemical Property Profile of Phosphorotrithioic acid, S,S,S-trimethyl ester
Property Insights of Phosphorotrithioic acid, S,S,S-trimethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorotrithioic acid, S,S,S-trimethyl ester. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorotrithioic acid, S,S,S-trimethyl ester. Following Lipinski's Rule of Five, Phosphorotrithioic acid, S,S,S-trimethyl 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 Phosphorotrithioic acid, S,S,S-trimethyl ester?
The CAS number of Phosphorotrithioic acid, S,S,S-trimethyl ester is 681-71-0.
What is the molecular formula of Phosphorotrithioic acid, S,S,S-trimethyl ester?
The molecular formula of Phosphorotrithioic acid, S,S,S-trimethyl ester is C3H9OPS3.
What is the molecular weight of Phosphorotrithioic acid, S,S,S-trimethyl ester?
The molecular weight of Phosphorotrithioic acid, S,S,S-trimethyl ester is 187.96 g/mol.
Where can I buy Phosphorotrithioic acid, S,S,S-trimethyl ester?
You can request a quote for Phosphorotrithioic acid, S,S,S-trimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorotrithioic acid, S,S,S-trimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorotrithioic acid, S,S,S-trimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.