N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate
TL;DR: N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate (CAS 134478-66-3) is a chemical compound with molecular formula C28H32N2O6S4 and molecular weight 620.1143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(3-[2-[(dimethylamino)methyl]thiophen-3-yl]sulfanylphenol);oxalic acid
Also Known As: N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate, 3-((2-((Dimethylamino)methyl)-3-thienyl)thio)phenol ethanedioate (2:1) (salt), Phenol, 3-((2-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt), 3-[2-(dimethylaminomethyl)thiophen-3-yl]sulfanylphenol; oxalic acid, Oxalic acid--3-({2-[(dimethylamino)methyl]thiophen-3-yl}sulfanyl)phenol (1/2)
Technical Specifications
| Molecular Formula | C28H32N2O6S4 |
| Molecular Weight | 620.1143 g/mol |
| XLogP | 6.4886 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 620.1143 Da |
| Heavy Atoms | 40 |
| Complexity | 309.0 |
| SMILES | CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O.CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O.C(=O)(C(=O)O)O |
| InChIKey | JQJIDDDKVYSLFD-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate
Property Insights of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate
The XLogP value of 6.4886 indicates that N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate?
The CAS number of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate is 134478-66-3.
What is the molecular formula of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate?
The molecular formula of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate is C28H32N2O6S4.
What is the molecular weight of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate?
The molecular weight of N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate is 620.1143 g/mol.
Where can I buy N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate?
You can request a quote for N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate?
Yes, CoreyChem provides custom synthesis services for N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.