Basic information
- CAS
77109-49-0- Standard SMILES
COC(=O)C(CSCCBr)NC(C)=O- InChIKey
IWTQNTFCJNYJAZ-UHFFFAOYSA-N- Molecular formula
- C8H14BrNO3S
- Average molar mass
- 284.17 g/mol
- Monoisotopic mass
- 282.98778
Names & identifiers
- Preferred name
- N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid
- IUPAC
- methyl 2-acetamido-3-(2-bromoethylsulfanyl)propanoate
Names & synonyms
DTXSID90998366N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid
Database identifiers
- CAS
77109-49-0- PubChem CID
- 53583
- DTXSID
DTXSID90998366
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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