Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)
TL;DR: Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1) (CAS 105892-09-9) is a chemical compound with molecular formula C12H18ClNO3S and molecular weight 291.06958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanylacetic acid;2-(dimethylamino)ethanol
Also Known As: ((4-Chlorophenyl)thio)acetic acid 2-(dimethylamino)ethanol (1:1), ACETIC ACID, ((4-CHLOROPHENYL)THIO)-, 2-(DIMETHYLAMINO)ETHANOL (1:1), 2-(4-chlorophenyl)sulfanylacetic acid; 2-(dimethylamino)ethanol, 2-(4-chlorophenyl)sulfanylacetic acid,2-(dimethylamino)ethanol, ((4-Chlorophenyl)thio)aceticacid2-(dimethylamino)ethanol(1:1)
Technical Specifications
| Molecular Formula | C12H18ClNO3S |
| Molecular Weight | 291.06958 g/mol |
| XLogP | 2.06 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.06958 Da |
| Heavy Atoms | 18 |
| Complexity | 184.0 |
| SMILES | CN(C)CCO.C1=CC(=CC=C1SCC(=O)O)Cl |
| InChIKey | WBCTXKQLKAYFAQ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)
Property Insights of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)
The XLogP value of 2.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1). The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1). Following Lipinski's Rule of Five, Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1) has 2 hydrogen bond donor(s) and 5 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-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)?
The CAS number of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1) is 105892-09-9.
What is the molecular formula of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)?
The molecular formula of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1) is C12H18ClNO3S.
What is the molecular weight of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)?
The molecular weight of Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1) is 291.06958 g/mol.
Where can I buy Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)?
You can request a quote for Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)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-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.