S,S-dibutyl (chloromethyl)phosphonodithioate
TL;DR: S,S-dibutyl (chloromethyl)phosphonodithioate (CAS 90796-06-8) is a chemical compound with molecular formula C9H20ClOPS2 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butylsulfanyl(chloromethyl)phosphoryl]sulfanylbutane
Also Known As: S,S-dibutyl (chloromethyl)phosphonodithioate, 1-[butylsulfanyl(chloromethyl)phosphoryl]sulfanylbutane, 1-(butylsulfanyl-(chloromethyl)phosphoryl)sulfanylbutane
| Molecular Formula | C9H20ClOPS2 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.03818 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 90796-06-8 |
|---|---|
| SMILES | CCCCSP(=O)(CCl)SCCCC |
| InChIKey | YMAGJTYYROBKPA-UHFFFAOYSA-N |
Product Overview
S,S-dibutyl (chloromethyl)phosphonodithioate (CAS 90796-06-8), with molecular formula C9H20ClOPS2 and molecular weight 274.04 g/mol. IUPAC: 1-[butylsulfanyl(chloromethyl)phosphoryl]sulfanylbutane.
Chemical Property Profile of S,S-dibutyl (chloromethyl)phosphonodithioate
Property Insights of S,S-dibutyl (chloromethyl)phosphonodithioate
The XLogP value of 3.4 indicates that S,S-dibutyl (chloromethyl)phosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S-dibutyl (chloromethyl)phosphonodithioate. Following Lipinski's Rule of Five, S,S-dibutyl (chloromethyl)phosphonodithioate 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 S,S-dibutyl (chloromethyl)phosphonodithioate?
The CAS number of S,S-dibutyl (chloromethyl)phosphonodithioate is 90796-06-8.
What is the molecular formula of S,S-dibutyl (chloromethyl)phosphonodithioate?
The molecular formula of S,S-dibutyl (chloromethyl)phosphonodithioate is C9H20ClOPS2.
What is the molecular weight of S,S-dibutyl (chloromethyl)phosphonodithioate?
The molecular weight of S,S-dibutyl (chloromethyl)phosphonodithioate is 274.04 g/mol.
Where can I buy S,S-dibutyl (chloromethyl)phosphonodithioate?
You can request a quote for S,S-dibutyl (chloromethyl)phosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-dibutyl (chloromethyl)phosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for S,S-dibutyl (chloromethyl)phosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.