3-Methyl-5-(methylsulfinylmethyl)-1,2-oxazole
Basic information
- CAS
84654-08-0- Standard SMILES
Cc1cc(CS(C)=O)on1- InChIKey
KQIZHVQTQBIOIL-UHFFFAOYSA-N- Molecular formula
- C6H9NO2S
- Average molar mass
- 159.21 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-5-(methylsulfinylmethyl)-1,2-oxazole
- IUPAC
- 3-methyl-5-(methylsulfinylmethyl)-1,2-oxazole
- English name
- Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI)
- Molecular formula
- C6H9NO2S
- Molecular weight
- 159.20616
Names & synonyms
84654-08-0DB-287749Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]-Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI)
Database identifiers
- CAS
84654-08-0
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
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Compound notes
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