Basic information
- CAS
36832-52-7- Standard SMILES
C#CCCS(=O)(=O)c1ccc(C)cc1- InChIKey
XKDXCVCQIUFLNU-UHFFFAOYSA-N- Molecular formula
- C11H12O2S
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.05580079
Names & identifiers
- Preferred name
- Sulfone, 3-butynyl p-tolyl
- IUPAC
- 1-but-3-ynylsulfonyl-4-methylbenzene
Names & synonyms
Sulfone, 3-butynyl p-tolyl36832-52-7DTXSID40190297RefChem:382579DTXCID501127881-(but-3-yne-1-sulfonyl)-4-methylbenzeneSulfone, 3-butynyl p-tolyl,SCHEMBL9770803
Database identifiers
- CAS
36832-52-7- PubChem CID
- 142111
- DTXSID
DTXSID40190297- Nikkaji
- J3.755.409J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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