2,4,6-Triisopropylbenzenesulfonyltetrazole
Basic information
- CAS
59128-88-0- Standard SMILES
CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnnn2)c(C(C)C)c1- InChIKey
PWLNMVIUTUFFSG-UHFFFAOYSA-N- Molecular formula
- C16H24N4O2S
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.16199719
Overview
sulfonation agent
Names & identifiers
- Preferred name
- 2,4,6-Triisopropylbenzenesulfonyltetrazole
- IUPAC
- 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazole
- English name
- 2,4,6-triisopropylbenzenesulfonyltetrazole
- Molecular formula
- C16H24N4O2S
- Molecular weight
- 336.45
Names & synonyms
2,4,6-Triisopropylbenzenesulfonyltetrazole59128-88-02,4,6-TipbtDTXSID702078671H-Tetrazole, 1-((2,4,6-tris(1-methylethyl)phenyl)sulfonyl)-RefChem:82131DTXCID20130358SCHEMBL56941511-[2,4,6-Tri(propan-2-yl)benzene-1-sulfonyl]-1H-tetrazole1H-Tetrazole, 1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-
Database identifiers
- CAS
59128-88-0- PubChem CID
- 194073
- DTXSID
DTXSID70207867
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 447.843 · 447.843±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.232 · 1.232±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.977 · -0.977±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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