Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
TL;DR: Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) (CAS 105892-20-4) is a chemical compound with molecular formula C10H13N3O7S and molecular weight 319.04742 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-aminoethanol;2-(2,4-dinitrophenyl)sulfanylacetic acid
Also Known As: Mono(2-hydroxyethyl)ammonium 2,4-dinitrophenylthioacetate, ((2,4-Dinitrophenyl)thio)acetic acid 2-aminoethanol (1:1), 2-aminoethanol; 2-(2,4-dinitrophenyl)sulfanylacetic acid, 1-Methyl-5,5-diethyl-4-methylthiobarbituric acid, 2-aminoethanol;2-(2,4-dinitrophenyl)sulfanylacetic acid
Technical Specifications
| Molecular Formula | C10H13N3O7S |
| Molecular Weight | 319.04742 g/mol |
| XLogP | 0.62 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.04742 Da |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O.C(CO)N |
| InChIKey | MNEKBQKPLOECLB-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
Property Insights of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1). The TPSA of 200.0 Ų indicates high polarity, suggesting Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) has 3 hydrogen bond donor(s) and 9 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, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)?
The CAS number of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) is 105892-20-4.
What is the molecular formula of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)?
The molecular formula of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) is C10H13N3O7S.
What is the molecular weight of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)?
The molecular weight of Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) is 319.04742 g/mol.
Where can I buy Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)?
You can request a quote for Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.