Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 105892-19-1) is a chemical compound with molecular formula C12H18N2O6S and molecular weight 318.08856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-hydroxyethyl)azanium;2-(4-nitrophenyl)sulfanylacetate
Also Known As: ((4-Nitrophenyl)thio)acetic acid 2,2'-iminobis(ethanol) (1:1), bis(2-hydroxyethyl)azanium; 2-(4-nitrophenyl)sulfanylacetate, ACETIC ACID, ((4-NITROPHENYL)THIO)-, compd. with 2,2'-IMINOBIS(ETHANOL) (1:1), ((4-Nitrophenyl)thio)aceticacid2,2'-iminobis(ethanol)(1:1), 2-hydroxy-n-(2-hydroxyethyl)ethanaminium[(4-nitrophenyl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C12H18N2O6S |
| Molecular Weight | 318.08856 g/mol |
| XLogP | -2.03 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.08856 Da |
| Heavy Atoms | 21 |
| Complexity | 243.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH2+]CCO |
| InChIKey | MKWWIMHCZQEYPR-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of -2.03 indicates that Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is 105892-19-1.
What is the molecular formula of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is C12H18N2O6S.
What is the molecular weight of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is 318.08856 g/mol.
Where can I buy Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.