Benzene, 1,1'-[1,4-butanediylbis(sulfonyl)]bis[4-methyl-
Basic information
- CAS
94265-67-5- Standard SMILES
Cc1ccc(S(=O)(=O)CCCCS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
PAXYTMMCEPKWBU-UHFFFAOYSA-N- Molecular formula
- C18H22O4S2
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.09595153
Names & identifiers
- Preferred name
- Benzene, 1,1'-[1,4-butanediylbis(sulfonyl)]bis[4-methyl-
- IUPAC
- 1-methyl-4-[4-(4-methylphenyl)sulfonylbutylsulfonyl]benzene
Names & synonyms
94265-67-5Benzene, 1,1'-[1,4-butanediylbis(sulfonyl)]bis[4-methyl-NSC614505Cambridge id 5144083SCHEMBL1582969DTXSID50326767NSC-6145051,1'-(Butane-1,4-diyldisulfonyl)bis(4-methylbenzene)
Database identifiers
- CAS
94265-67-5- PubChem CID
- 356949
- DTXSID
DTXSID50326767- Nikkaji
- J2.372.797H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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