Dipropyl sulfone
PubChem CID: 11709
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| Compound Synonyms | Propyl sulfone, 598-03-8, DIPROPYL SULFONE, Propane, 1,1'-sulfonylbis-, Di-n-propyl sulfone, Dipropyl sulphone, 1-propylsulfonylpropane, 1-(Propylsulfonyl)propane, 1-(propane-1-sulfonyl)propane, n-Propyl sulfone, UNII-581DRO3V26, HSDB 6466, 581DRO3V26, NSC 4865, NSC-4865, EINECS 209-913-0, 1,1'-Sulphonylbispropane, AI3-02075, DIPROPYL SULFONE [HSDB], DTXSID6060501, Propyl sulphone, Dinpropyl sulfone, Propyl sulfone (8CI), Propane,1'-sulfonylbis-, Propane, 1,1'sulfonylbis, 1-(Propylsulfonyl)propane #, SCHEMBL152599, DTXCID2042694, NSC4865, MFCD00007570, AKOS006223691, AS-58840, DB-053469, D1171, NS00034242, D89800, A832476, Q27261538 |
|---|---|
| Topological Polar Surface Area | 42.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-propylsulfonylpropane |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C6H14O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEXYCADTAFPULN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.903 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.915 |
| Compound Name | Dipropyl sulfone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.071 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7532065999999997 |
| Inchi | InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3 |
| Smiles | CCCS(=O)(=O)CCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Zawadskii (Plant) Rel Props:Source_db:cmaup_ingredients