Basic information
- CAS
57596-70-0- Standard SMILES
CC(=O)NC(CSC(F)(F)C(Cl)Br)C(=O)O- InChIKey
FFSXNJGWJHTJHD-VKZKZBKNSA-N- Molecular formula
- C7H9BrClF2NO3S
- Average molar mass
- 340.57 g/mol
- Monoisotopic mass
- 338.91431
Names & identifiers
- Preferred name
- N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine
- IUPAC
- 2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid
- English name
- N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine
- Molecular formula
- C7H9BrClF2NO3S
- Molecular weight
- 340.57
Names & synonyms
2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acidN-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteineBRN 4807550N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanineCHEMBL2075000DTXSID20973166FFSXNJGWJHTJHD-UHFFFAOYSA-NALANINE, N-ACETYL-3-((2-BROMO-2-CHLORO-1,1-DIFLUOROETHYL)THIO)-, L-S-(2-Bromo-2-chloro-1,1-difluoroethyl)-N-(1-hydroxyethylidene)cysteineL-Cysteine, N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-
Database identifiers
- CAS
57596-70-0- PubChem CID
- 42479
- DTXSID
DTXSID20973166- ChEMBL
CHEMBL2075000
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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