Carboxin sulfoxide
Basic information
- CAS
17757-70-9- Standard SMILES
CC1=C(C(=O)Nc2ccccc2)S(=O)CCO1- InChIKey
UZXIHLNNJNITMJ-UHFFFAOYSA-N- Molecular formula
- C12H13NO3S
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.06161445
Names & identifiers
- Preferred name
- Carboxin sulfoxide
- IUPAC
- 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
- English name
- Carboxin sulfoxide)
- Molecular formula
- C12H13NO3S
- Molecular weight
- 251.3
Names & synonyms
CARBOXIN SULFOXIDE17757-70-9Vitavax SulfoxideQ8Z570YAVCDTXSID8041531F-831RefChem:1081250DTXCID60215316-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamideCARBOXIN SULFOXIDE)1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 4-oxide2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide
Show more names
CARBOXIN SULFOXIDOCarboxin-sulfoxide 100 μg/mL in Acetonitrile5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboanilide 4-oxide2-Methyl-3-(phenylcarbamoyl)-5,6-dihydro-1,4-oxathiin 4-oxide5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 4-oxide
Carboxin 4-oxideUNII-Q8Z570YAVCCarboxin Sulfoxidcarboxin TP1Carboxin-sulfoxideCarboxin sulfoxide P/V-16 M4HMS1670K091,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-, 4-oxide
Database identifiers
- CAS
17757-70-9- PubChem CID
- 28749
- DTXSID
DTXSID8041531- UNII
- Q8Z570YAVC
- Nikkaji
- J124.908H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP0.64
Physicochemical properties
- Melting point
- 120 · 120-121 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 511.9 · 511.9±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.73 · 12.73±0.70(Predicted)
- color
- White to Off-White
- FDA UNII
- 8 Z570YAVC · Q8Z570YAVC
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
UsesCarboxin Sulfoxide is an oxathiin systemic fungicide used on biological systems.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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