Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)
TL;DR: Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) (CAS 134508-41-1) is a chemical compound with molecular formula C15H17NO5S2 and molecular weight 355.0548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[(dimethylamino)methyl]thiophen-2-yl]sulfanylphenol;oxalic acid
Also Known As: Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt), 3-((3-((Dimethylamino)methyl)-3-thienyl)thio)phenol ethanedioate (2:1) (salt), N,N-Dimethyl-2-(3-hydroxyphenylthio)-3-thienylamine oxalate (2:1), 3-[3-(dimethylaminomethyl)thiophen-2-yl]sulfanylphenol; oxalic acid, Oxalic acid--3-({3-[(dimethylamino)methyl]thiophen-2-yl}sulfanyl)phenol (1/1)
Technical Specifications
| Molecular Formula | C15H17NO5S2 |
| Molecular Weight | 355.0548 g/mol |
| XLogP | 2.8221 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0548 Da |
| Heavy Atoms | 23 |
| Complexity | 309.0 |
| SMILES | CN(C)CC1=C(SC=C1)SC2=CC=CC(=C2)O.C(=O)(C(=O)O)O |
| InChIKey | VCKYZEZDGYQACW-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)
Property Insights of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)
The XLogP value of 2.8221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt). The TPSA of 152.0 Ų indicates high polarity, suggesting Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)?
The CAS number of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) is 134508-41-1.
What is the molecular formula of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)?
The molecular formula of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) is C15H17NO5S2.
What is the molecular weight of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)?
The molecular weight of Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) is 355.0548 g/mol.
Where can I buy Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)?
You can request a quote for Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)?
Yes, CoreyChem provides custom synthesis services for Phenol, 3-((3-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.