o-(Propylthio)benzenesulphonyl chloride
Basic information
- CAS
79792-99-7- Standard SMILES
CCCSc1ccccc1S(=O)(=O)Cl- InChIKey
BYFHFTOAZIAVNY-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2S2
- Average molar mass
- 250.8 g/mol
- Monoisotopic mass
- 249.9888996
Names & identifiers
- Preferred name
- o-(Propylthio)benzenesulphonyl chloride
- IUPAC
- 2-propylsulfanylbenzenesulfonyl chloride
- English name
- o-(propylthio)benzenesulphonyl chloride
- Molecular formula
- C9H11ClO2S2
- Molecular weight
- 250.77
Names & synonyms
79792-99-7o-(Propylthio)benzenesulphonyl chlorideEINECS 279-266-72-(Propylsulfanyl)benzene-1-sulfonyl chlorideSCHEMBL9711640BYFHFTOAZIAVNY-UHFFFAOYSA-NDTXSID301000737NS00061044Benzenesulfonyl chloride, 2-(propylthio)-2-(Propylthio)benzenesulfonic acid chloride
Database identifiers
- CAS
79792-99-7- PubChem CID
- 3018869
- DTXSID
DTXSID301000737- EC Number
- 279-266-7
- Nikkaji
- J320.162G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 343 · 343.0±25.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
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Related reactions
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Compound notes
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