Phosphonothioic dichloride, (1,1-dimethylethyl)-
TL;DR: Phosphonothioic dichloride, (1,1-dimethylethyl)- (CAS 21187-18-8) is a chemical compound with molecular formula C4H9Cl2PS and molecular weight 189.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-dichloro-sulfanylidene-λ5-phosphane
Also Known As: tert-Butylphosphonothioic dichloride, tert-butyl-dichloro-sulfanylidene-, Phosphine sulfide, t-butyl-dichloro-, tert-butyldichloro-??-phosphanethione, tert-Butylphosphonothioic dichloride #
| Molecular Formula | C4H9Cl2PS |
|---|---|
| Molecular Weight | 189.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.95396 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 21187-18-8 |
|---|---|
| SMILES | CC(C)(C)P(=S)(Cl)Cl |
| InChIKey | GTGBVXLEQWGEHO-UHFFFAOYSA-N |
Product Overview
Phosphonothioic dichloride, (1,1-dimethylethyl)- (CAS 21187-18-8), with molecular formula C4H9Cl2PS and molecular weight 189.95 g/mol. IUPAC: tert-butyl-dichloro-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic dichloride, (1,1-dimethylethyl)-
Property Insights of Phosphonothioic dichloride, (1,1-dimethylethyl)-
The XLogP value of 3.7 indicates that Phosphonothioic dichloride, (1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, Phosphonothioic dichloride, (1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic dichloride, (1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 1 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 Phosphonothioic dichloride, (1,1-dimethylethyl)-?
The CAS number of Phosphonothioic dichloride, (1,1-dimethylethyl)- is 21187-18-8.
What is the molecular formula of Phosphonothioic dichloride, (1,1-dimethylethyl)-?
The molecular formula of Phosphonothioic dichloride, (1,1-dimethylethyl)- is C4H9Cl2PS.
What is the molecular weight of Phosphonothioic dichloride, (1,1-dimethylethyl)-?
The molecular weight of Phosphonothioic dichloride, (1,1-dimethylethyl)- is 189.95 g/mol.
Where can I buy Phosphonothioic dichloride, (1,1-dimethylethyl)-?
You can request a quote for Phosphonothioic dichloride, (1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic dichloride, (1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic dichloride, (1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.