5-[4-(2-Aminoethyl)phenyl]-1,1-dioxo-1,2-thiazol-3-one
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Basic information
- Standard SMILES
NCCc1ccc(C2=CC(=O)NS2(=O)=O)cc1- InChIKey
HJLJVTLVUJBSFL-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
Names & identifiers
- Preferred name
- 5-[4-(2-Aminoethyl)phenyl]-1,1-dioxo-1,2-thiazol-3-one
- IUPAC
- 5-[4-(2-aminoethyl)phenyl]-1,1-dioxo-1,2-thiazol-3-one
Database identifiers
- PubChem CID
- 21878747
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 428
Related reactions
1 records
Compound notes
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