2,4-Dimethylsulfolane
PubChem CID: 70483
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| Compound Synonyms | 2,4-Dimethylsulfolane, 1003-78-7, 2,4-dimethylthiolane 1,1-dioxide, 2,4-Dimethyl sulfolane, Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide, 2,4-Dimethyltetramethylene sulfone, Dimethylsulfolane, 2,4-Dimethyltetrahydrothiophene 1,1-dioxide, EINECS 213-716-5, NSC 60703, 2,4-Dimethyltetrahydrothiophene dioxide, BRN 0111239, AI3-14671, 2,4-Dimethyltetrahydrothiophene-1,1-dioxide, UNII-730490CA09, NSC-60703, 730490CA09, 5-17-01-00097 (Beilstein Handbook Reference), 2,4-DIMETHYLSULFOLANE [MI], 2,4Dimethyl sulfolane, SCHEMBL487047, WLN: T5SWTJ B1 D1, 2,4Dimethyltetramethylene sulfone, DTXSID20870828, NSC60703, BBL027528, STL146481, 2,4Dimethyltetrahydrothiophene dioxide, Thiophene,4-dimethyl-, 1,1-dioxide, AKOS004912646, 2,4-dimethyl-1??-thiolane-1,1-dione, 2,4Dimethyltetrahydrothiophene1,1dioxide, 2,4-dimethyl-1, E?-thiolane-1,1-dione, Tetrahydro2,4dimethylthiophene 1,1dioxide, VS-08560, CS-0340010, NS00043193, Thiophene, tetrahydro2,4dimethyl, 1,1dioxide, 2,4-dimethyl-tetrahydro-thiophene-1,1-dioxide, 2,4-Dimethyltetrahydrothiophene 1,1-dioxide #, Q27266111, 213-716-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1(C)CCCC1 |
| Deep Smiles | CCCCS=O)=O)C5))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Thiolanes |
| Scaffold Graph Node Level | OS1(O)CCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethylthiolane 1,1-dioxide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O2S |
| Scaffold Graph Node Bond Level | O=S1(=O)CCCC1 |
| Inchi Key | WKFQMDFSDQFAIC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,5-dimethyl-tetrahydrothiophene |
| Esol Class | Very soluble |
| Functional Groups | CS(C)(=O)=O |
| Compound Name | 2,4-Dimethylsulfolane |
| Exact Mass | 148.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.056 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 148.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3 |
| Smiles | CC1CC(S(=O)(=O)C1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279