5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole

HCID 355657

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Basic information

CAS: 84654-04-6
Standard SMILES: CSC(SC)c1cc(C)no1
InChIKey: OUCWGJVDRZVKLZ-UHFFFAOYSA-N
Molecular formula: C7H11NOS2
Average molar mass: 189.3 g/mol
Monoisotopic mass: 189.02820632

Names & identifiers

Preferred name: 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
IUPAC: 5-[bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole

Names & synonyms

84654-04-65-(Bis(methylthio)methyl)-3-methylisoxazole5-[bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazoleIsoxazole, 5-[bis(methylthio)methyl]-3-methyl-NSC609762DTXSID80326694NSC-609762

Database identifiers

CAS: 84654-04-6
PubChem CID: 355657
DTXSID: DTXSID80326694

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 76.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 119

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