3-[4-(Methanesulfonyl)phenyl]prop-2-yn-1-ol
Basic information
- CAS
105135-96-4- Standard SMILES
CS(=O)(=O)c1ccc(C#CCO)cc1- InChIKey
TVMQIEOTSVBZFB-UHFFFAOYSA-N- Molecular formula
- C10H10O3S
- Average molar mass
- 210.25 g/mol
- Monoisotopic mass
- 210.03506535
Names & identifiers
- Preferred name
- 3-[4-(Methanesulfonyl)phenyl]prop-2-yn-1-ol
- IUPAC
- 3-(4-methylsulfonylphenyl)prop-2-yn-1-ol
Names & synonyms
105135-96-43-[4-(Methylsulfonyl)phenyl]-2-propyn-1-ol3-[4-(Methanesulfonyl)phenyl]prop-2-yn-1-olSCHEMBL2181909DTXSID50579690SY387280
Database identifiers
- CAS
105135-96-4- PubChem CID
- 15923980
- DTXSID
DTXSID50579690
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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