1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)
TL;DR: 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) (CAS 84540-75-0) is a chemical compound with molecular formula C6H14OPS2+ and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-methylpentoxy]-sulfanyl-sulfanylidenephosphanium
Also Known As: O,O'-Bis(2-methylpentyl)phosphorodithioic acid, 1-Pentanol, 2-methyl-, hydrogen phosphorodithioate, [(2S)-2-methylpentoxy]-sulfanyl-sulfanylidene-, [(2S)-2-methylpentoxy]-sulfanyl-sulfanylidenephosphanium, 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)
| Molecular Formula | C6H14OPS2+ |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 3.1428 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.02237 |
| Heavy Atoms | 10 |
| Complexity | 107.92094 |
Chemical Identifiers
| CAS Number | 84540-75-0 |
|---|---|
| SMILES | CCC[C@H](C)CO[P+](=S)S |
Product Overview
1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) (CAS 84540-75-0), with molecular formula C6H14OPS2+ and molecular weight 197.02 g/mol. IUPAC: [(2S)-2-methylpentoxy]-sulfanyl-sulfanylidenephosphanium.
Chemical Property Profile of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)
Property Insights of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)
The XLogP value of 3.1428 indicates that 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) has 1 hydrogen bond donor(s) and 2 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 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)?
The CAS number of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) is 84540-75-0.
What is the molecular formula of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)?
The molecular formula of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) is C6H14OPS2+.
What is the molecular weight of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)?
The molecular weight of 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) is 197.02 g/mol.
Where can I buy 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)?
You can request a quote for 1-Pentanol, 2-methyl-, 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 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate)?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentanol, 2-methyl-, 1,1'-(hydrogen phosphorodithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.