Basic information
- CAS
97314-03-9- Standard SMILES
CC(=O)SCC[NH2+]C(=O)CCCN.[Br-]- InChIKey
OFRWVIABTFBZJS-UHFFFAOYSA-N- Molecular formula
- C8H17BrN2O2S
- Average molar mass
- 285.2 g/mol
- Monoisotopic mass
- 284.01941
Names & identifiers
- Preferred name
- Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
- IUPAC
- 2-acetylsulfanylethyl(4-aminobutanoyl)azanium bromide
Names & synonyms
Thioacetic acid S-2-(4-aminobutyramido)ethyl ester hydrobromideACETIC ACID, THIO-, S-2-(4-AMINOBUTYRAMIDO)ETHYL ESTER, HYDROBROMIDE97314-03-9RefChem:316702
Database identifiers
- CAS
97314-03-9- PubChem CID
- 57217
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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