N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine
2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid
Also Known As: BRN 4807550|AC1L27X1|FFSXNJGWJHTJHD-UHFFFAOYSA-N|N-Acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L-cysteine|2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid|N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine|N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine|ALANINE, N-ACETYL-3-((2-BROMO-2-CHLORO-1,1-DIFLUOROETHYL)THIO)-, L-|S-(2-Bromo-2-chloro-1,1-difluoroethyl)-N-(1-hydroxyethylidene)cysteine
| Molecular Formula | C7H9BrClF2NO3S |
|---|---|
| Molecular Weight | 338.9143 g/mol |
| LogP | 1.86 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.9143 |
| Heavy Atoms | 16 |
| Complexity | 280.4 |
Chemical Identifiers
| CAS Number | 57596-70-0 |
|---|---|
| SMILES | CC(=O)NC(CSC(C(Cl)Br)(F)F)C(=O)O |
Product Overview
N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine (CAS 57596-70-0), with molecular formula C7H9BrClF2NO3S and molecular weight 338.9143 g/mol. IUPAC: 2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid.
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