Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)
TL;DR: Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) (CAS 65045-84-3) is a chemical compound with molecular formula C36H59O2PS2 and molecular weight 618.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(4-dodecylphenyl)sulfanyl]phosphinic acid
Also Known As: Benzenethiol, 4-dodecyl-, hydrogen phosphorodithioate, bis[(4-dodecylphenyl)sulfanyl]phosphinic acid, Bis(4-dodecylphenylthio)phosphinic acid, s,s-bis(4-dodecylphenyl) hydrogen phosphorodithioate, Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)
| Molecular Formula | C36H59O2PS2 |
|---|---|
| Molecular Weight | 618.37 g/mol |
| LogP | 15.3 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 618.3694 |
| Heavy Atoms | 41 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 65045-84-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)SP(=O)(O)SC2=CC=C(C=C2)CCCCCCCCCCCC |
| InChIKey | CRVGAVBEWLIJPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) (CAS 65045-84-3), with molecular formula C36H59O2PS2 and molecular weight 618.37 g/mol. IUPAC: bis[(4-dodecylphenyl)sulfanyl]phosphinic acid.
Chemical Property Profile of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)
Property Insights of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)
The XLogP value of 15.3 indicates that Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate). Following Lipinski's Rule of Five, Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)?
The CAS number of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) is 65045-84-3.
What is the molecular formula of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)?
The molecular formula of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) is C36H59O2PS2.
What is the molecular weight of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)?
The molecular weight of Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) is 618.37 g/mol.
Where can I buy Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)?
You can request a quote for Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate)?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 4-dodecyl-, 1,1'-(hydrogen phosphorodithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.