3,5-Diethyl-1-methylthiopyran 1-oxide
Basic information
- CAS
32398-61-1- Standard SMILES
CCC1=CC(CC)=CS(C)(=O)=C1- InChIKey
RTBJVFURXROSRS-UHFFFAOYSA-N- Molecular formula
- C10H16OS
- Average molar mass
- 184.3 g/mol
- Monoisotopic mass
- 184.0921863
Names & identifiers
- Preferred name
- 3,5-Diethyl-1-methylthiopyran 1-oxide
- IUPAC
- 3,5-diethyl-1-methylthiopyran 1-oxide
Names & synonyms
32398-61-13,5-diethyl-1-methylthiopyran 1-oxideNSC138608DTXSID40300738NSC-1386083,5-diethyl-1-methyl-thiopyran 1-oxideDS-0046573,5-Diethyl-1-methyl-1lambda~6~-thiopyran-1-one
Database identifiers
- CAS
32398-61-1- PubChem CID
- 283645
- DTXSID
DTXSID40300738
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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