Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester
TL;DR: Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester (CAS 141931-23-9) is a chemical compound with molecular formula C12H27O3PS3 and molecular weight 346.086 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[butylsulfanyl(butylsulfonyl)phosphoryl]sulfanylbutane
Also Known As: Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester, 1-[butylsulfanyl(butylsulfonyl)phosphoryl]sulfanylbutane, 1-(butylsulfanyl-butylsulfonyl-phosphoryl)sulfanylbutane
Technical Specifications
| Molecular Formula | C12H27O3PS3 |
| Molecular Weight | 346.086 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 346.086 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | CCCCSP(=O)(SCCCC)S(=O)(=O)CCCC |
| InChIKey | WBJWXRRAFPTSKE-UHFFFAOYSA-N |
Chemical Property Profile of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester
Property Insights of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester
The XLogP value of 3.6 indicates that Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester?
The CAS number of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester is 141931-23-9.
What is the molecular formula of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester?
The molecular formula of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester is C12H27O3PS3.
What is the molecular weight of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester?
The molecular weight of Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester is 346.086 g/mol.
Where can I buy Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester?
You can request a quote for Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphonodithioic acid, (butylsulfonyl)-, S,S-dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.