TL;DR: Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate (CAS 63906-39-8) is a chemical compound with molecular formula C8H17O2PS3 and molecular weight 272.01282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[methyl(propylsulfanyl)phosphinothioyl]sulfanylacetate
Also Known As: Mobil VC 3-786, Virginia carolina 3-786, ENT 27,187, V-C 3-786, V-C Chemical V-C 3-786
| Molecular Formula | C8H17O2PS3 |
| Molecular Weight | 272.01282 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.01282 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | CCCSP(=S)(C)SCC(=O)OCC |
| InChIKey | RGWCPFOSLUTALQ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate. Following Lipinski's Rule of Five, Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate is 63906-39-8.
The molecular formula of Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate is C8H17O2PS3.
The molecular weight of Acetic acid, mercapto-, ethyl ester, propyl methylphosphonotrithioate is 272.01282 g/mol.
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