S-(Diphenylmethyl) O-octyl methylphosphonodithioate
TL;DR: S-(Diphenylmethyl) O-octyl methylphosphonodithioate (CAS 68640-55-1) is a chemical compound with molecular formula C22H31OPS2 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydrylsulfanyl-methyl-octoxy-sulfanylidene-λ5-phosphane
Also Known As: S-(Diphenylmethyl) O-octyl methylphosphonodithioate, benzhydrylsulfanyl-methyl-octoxy-sulfanylidene-, S-Diphenylmethyl O-octyl methylphosphonodithioate, Phosphonodithioic acid, methyl-, S-(diphenylmethyl) O-octyl ester, RefChem:1098236
| Molecular Formula | C22H31OPS2 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 7.8256 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 406.1554 |
| Heavy Atoms | 26 |
| Complexity | 620.8572 |
Chemical Identifiers
| CAS Number | 68640-55-1 |
|---|---|
| SMILES | CCCCCCCCOP(=S)(C)SC(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
S-(Diphenylmethyl) O-octyl methylphosphonodithioate (CAS 68640-55-1), with molecular formula C22H31OPS2 and molecular weight 406.16 g/mol. IUPAC: benzhydrylsulfanyl-methyl-octoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-(Diphenylmethyl) O-octyl methylphosphonodithioate
Property Insights of S-(Diphenylmethyl) O-octyl methylphosphonodithioate
The XLogP value of 7.8256 indicates that S-(Diphenylmethyl) O-octyl methylphosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, S-(Diphenylmethyl) O-octyl methylphosphonodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(Diphenylmethyl) O-octyl methylphosphonodithioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(Diphenylmethyl) O-octyl methylphosphonodithioate?
The CAS number of S-(Diphenylmethyl) O-octyl methylphosphonodithioate is 68640-55-1.
What is the molecular formula of S-(Diphenylmethyl) O-octyl methylphosphonodithioate?
The molecular formula of S-(Diphenylmethyl) O-octyl methylphosphonodithioate is C22H31OPS2.
What is the molecular weight of S-(Diphenylmethyl) O-octyl methylphosphonodithioate?
The molecular weight of S-(Diphenylmethyl) O-octyl methylphosphonodithioate is 406.16 g/mol.
Where can I buy S-(Diphenylmethyl) O-octyl methylphosphonodithioate?
You can request a quote for S-(Diphenylmethyl) O-octyl methylphosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(Diphenylmethyl) O-octyl methylphosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for S-(Diphenylmethyl) O-octyl methylphosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.