Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 105892-17-9) is a chemical compound with molecular formula C13H21NO4S and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxyethyl)azanium;2-(4-methylphenyl)sulfanylacetate
Also Known As: ((4-Methylphenyl)thio)acetic acid 2,2'-iminobis(ethanol) (1:1), ACETIC ACID, ((4-METHYLPHENYL)THIO)-, compd. with 2,2'-IMINOBIS(ETHANOL) (1:1), bis(2-hydroxyethyl)azanium; 2-(4-methylphenyl)sulfanylacetate, 2-hydroxy-n-(2-hydroxyethyl)ethanaminium[(4-methylphenyl)sulfanyl]acetate, RefChem:315993
| Molecular Formula | C13H21NO4S |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | -1.63 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.11914 |
| Heavy Atoms | 19 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 105892-17-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH2+]CCO |
| InChIKey | RFMMDYCVYQYMOW-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 105892-17-9), with molecular formula C13H21NO4S and molecular weight 287.12 g/mol. IUPAC: bis(2-hydroxyethyl)azanium;2-(4-methylphenyl)sulfanylacetate.
Chemical Property Profile of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of -1.63 indicates that Acetic acid, ((4-methylphenyl)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 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) has 3 hydrogen bond donor(s) and 5 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, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is 105892-17-9.
What is the molecular formula of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is C13H21NO4S.
What is the molecular weight of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) is 287.12 g/mol.
Where can I buy Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.