1-Pyrenebutyryl Aminopropyl Methanethiosulfonate
Basic information
- CAS
1391053-24-9- Standard SMILES
CS(=O)(=O)SCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34- InChIKey
GHYWVVCHPGNCFO-UHFFFAOYSA-N- Molecular formula
- C24H25NO3S2
- Average molar mass
- 439.6 g/mol
Names & identifiers
- Preferred name
- 1-Pyrenebutyryl Aminopropyl Methanethiosulfonate
- IUPAC
- N-(3-methylsulfonylsulfanylpropyl)-4-pyren-1-ylbutanamide
- English name
- 1-Pyrenebutyryl Aminopropyl Methanethiosulfonate
- Molecular formula
- C24H25NO3S2
- Molecular weight
- 439.59
Names & synonyms
1-Pyrenebutyryl Aminopropyl Methanethiosulfonate1391053-24-9N-(3-methylsulfonylsulfanylpropyl)-4-pyren-1-ylbutanamideMethanesulfonothioic Acid S-[2-[[1-Oxo-4-(1-pyrenyl)butyl]aMino]propyl] Ester
Database identifiers
- CAS
1391053-24-9
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- Boiling point
- 747.2 · 747.2±53.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 15.99 · 15.99±0.46(Predicted)
Chemistry & industry
Applications
Uses1-Pyrenebutyryl Aminopropyl Methanethiosulfonate is a fluoresent compound used for the rapid and selective modification of sulfhydryl groups of enzymes.
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Compound notes
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