[3-{[(2,6-Dichlorophenyl)thio]methyl}-5-(1-methylethyl)-4-isoxazolyl]methanol
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Basic information
- Standard SMILES
CC(C)c1onc(CSc2c(Cl)cccc2Cl)c1CO- InChIKey
MKIXJFMOCMJLQN-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2NO2S
- Average molar mass
- 332.2 g/mol
Names & identifiers
- Preferred name
- [3-{[(2,6-Dichlorophenyl)thio]methyl}-5-(1-methylethyl)-4-isoxazolyl]methanol
- IUPAC
- [3-[(2,6-dichlorophenyl)sulfanylmethyl]-5-propan-2-yl-1,2-oxazol-4-yl]methanol
Names & synonyms
SCHEMBL2002072MKIXJFMOCMJLQN-UHFFFAOYSA-N[3-{[(2,6-dichlorophenyl)thio]methyl}-5-(1-methylethyl)-4-isoxazolyl]methanol
Database identifiers
- PubChem CID
- 59321503
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
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Related reactions
4 records
Compound notes
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