Basic information
- CAS
63884-96-8- Standard SMILES
CCCCCSc1ccc(CC(=O)NO)cc1- InChIKey
HOTDMJSWRGBPDM-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- Acetohydroxamic acid, (p-pentylthio)phenyl-
- IUPAC
- N-hydroxy-2-(4-pentylsulfanylphenyl)acetamide
- English name
- p-(Pentylthio)phenylacetohydroxamic acid
- Molecular formula
- C13H19NO2S
- Molecular weight
- 253.36
Names & synonyms
(p-Pentylthio)phenylacetohydroxamic acidACETOHYDROXAMIC ACID, (p-PENTYLTHIO)PHENYL-63884-96-8DTXSID90213425RefChem:316772DTXCID90135916N-hydroxy-2-[4-(pentylsulfanyl)phenyl]acetamidep-(Pentylthio)phenylacetohydroxamic acidBenzeneacetamide, N-hydroxy-4-(pentylthio)-
Database identifiers
- CAS
63884-96-8- PubChem CID
- 44980
- DTXSID
DTXSID90213425- Nikkaji
- J86.339D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 9.09 · 9.09±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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