Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester
TL;DR: Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester (CAS 79100-72-4) is a chemical compound with molecular formula C9H21PS3 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfanyl-ethyl-propylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: 1,1-Dimethylethyl ethylphosphonotrithioate, S-t-Butyl s-n-propyl ethylphosphonotrithioate, tert-Butyl propyl ethylphosphonotrithioate, Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester, tert-butylsulfanyl-ethyl-propylsulfanyl-sulfanylidene-
| Molecular Formula | C9H21PS3 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 4.9907 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0543 |
| Heavy Atoms | 13 |
| Complexity | 183.78906 |
Chemical Identifiers
| CAS Number | 79100-72-4 |
|---|---|
| SMILES | CCCSP(=S)(CC)SC(C)(C)C |
Product Overview
Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester (CAS 79100-72-4), with molecular formula C9H21PS3 and molecular weight 256.05 g/mol. IUPAC: tert-butylsulfanyl-ethyl-propylsulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester
Property Insights of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester
The XLogP value of 4.9907 indicates that Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 3 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 Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester?
The CAS number of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester is 79100-72-4.
What is the molecular formula of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester?
The molecular formula of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester is C9H21PS3.
What is the molecular weight of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester?
The molecular weight of Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester is 256.05 g/mol.
Where can I buy Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester?
You can request a quote for Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonotrithioic acid, ethyl-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.