Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate
TL;DR: Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate (CAS 63233-94-3) is a chemical compound with molecular formula C9H19O4PS3 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sulfanylmethyl 2-(2-diethoxyphosphanylsulfanylethylsulfanyl)acetate
Also Known As: Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate, 3-Oxa-5,8-dithia-4-phosphadecan-10-oic acid, 4-ethoxy-, methyl ester, 4-sulfide, sulfanylmethyl 2-(2-diethoxyphosphanylsulfanylethylsulfanyl)acetate, Sulfanylmethyl 4-ethoxy-3-oxa-5,8-dithia-4-phosphadecan-10-oate, BRN 2216748
| Molecular Formula | C9H19O4PS3 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.1832 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 318.0183 |
| Heavy Atoms | 17 |
| Complexity | 191.07977 |
Chemical Identifiers
| CAS Number | 63233-94-3 |
|---|---|
| SMILES | CCOP(OCC)SCCSCC(=O)OCS |
Product Overview
Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate (CAS 63233-94-3), with molecular formula C9H19O4PS3 and molecular weight 318.02 g/mol. IUPAC: sulfanylmethyl 2-(2-diethoxyphosphanylsulfanylethylsulfanyl)acetate.
Chemical Property Profile of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate
Property Insights of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate
The XLogP value of 3.1832 indicates that Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate has 1 hydrogen bond donor(s) and 7 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 Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate?
The CAS number of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate is 63233-94-3.
What is the molecular formula of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate?
The molecular formula of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate is C9H19O4PS3.
What is the molecular weight of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate?
The molecular weight of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate is 318.02 g/mol.
Where can I buy Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate?
You can request a quote for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.