Methyl 2-acetamido-3-(4-aminophenyl)sulfanylpropanoate
Basic information
- CAS
6632-22-0- Standard SMILES
COC(=O)C(CSc1ccc(N)cc1)NC(C)=O- InChIKey
HFMHZIYNQKLNIO-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.08816355
Names & identifiers
- Preferred name
- Methyl 2-acetamido-3-(4-aminophenyl)sulfanylpropanoate
- IUPAC
- methyl 2-acetamido-3-(4-aminophenyl)sulfanylpropanoate
Names & synonyms
NSC57771NSC-57771AKOS014778180
Database identifiers
- CAS
6632-22-0- PubChem CID
- 245642
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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