Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
TL;DR: Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate (CAS 104071-79-6) is a chemical compound with molecular formula C8H12ClF3N2O4S and molecular weight 324.01584 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-(2-chloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
Also Known As: ACETIC ACID, CHLOROTHIO-, S-2-(2-AMINOACETAMIDO)ETHYL ESTER, TRIFLUOROACETATE, Chlorothioacetic acid S-2-(2-aminoacetamido)ethyl ester trifluoroacetate, [2-[2-(2-chloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium; 2,2,2-trifluoroacetate, 2-({2-[(Chloroacetyl)sulfanyl]ethyl}amino)-2-oxoethan-1-aminium trifluoroacetate, 2-({2-[(chloroacetyl)sulfanyl]ethyl}amino)-2-oxoethanaminium trifluoroacetate
Technical Specifications
| Molecular Formula | C8H12ClF3N2O4S |
| Molecular Weight | 324.01584 g/mol |
| XLogP | -1.86 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.01584 Da |
| Heavy Atoms | 19 |
| Complexity | 244.0 |
| SMILES | C(CSC(=O)CCl)NC(=O)C[NH3+].C(=O)(C(F)(F)F)[O-] |
| InChIKey | LTBZHYCYBHMKHP-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
Property Insights of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
The XLogP value of -1.86 indicates that Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate. Following Lipinski's Rule of Five, Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate has 2 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 Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
The CAS number of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is 104071-79-6.
What is the molecular formula of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
The molecular formula of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is C8H12ClF3N2O4S.
What is the molecular weight of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
The molecular weight of Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is 324.01584 g/mol.
Where can I buy Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
You can request a quote for Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Acetic acid, chlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.