Acetohydroxamic acid, 2-(4-(isobutylthio)-m-tolyl)-
Basic information
- CAS
15560-08-4- Standard SMILES
Cc1cc(SCC(=O)NO)ccc1CC(C)C- InChIKey
YXSDKLCNFXXFEG-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- Acetohydroxamic acid, 2-(4-(isobutylthio)-m-tolyl)-
- IUPAC
- N-hydroxy-2-[3-methyl-4-(2-methylpropyl)phenyl]sulfanylacetamide
Names & synonyms
BRN 2858225ACETOHYDROXAMIC ACID, 2-(4-(ISOBUTYLTHIO)-m-TOLYL)-DTXSID401659202-(4-(Isobutylthio)-m-tolyl)acetohydroxamic acid15560-08-4RefChem:316782DTXCID5088411N-hydroxy-2-{[3-methyl-4-(2-methylpropyl)phenyl]sulfanyl}acetamide
Database identifiers
- CAS
15560-08-4- PubChem CID
- 27378
- DTXSID
DTXSID40165920
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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