(E)-Ethylene, 1,2-bis(methylthio)-
PubChem CID: 5370886
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-Ethylene, 1,2-bis(methylthio)-, (E)-1,2-Bis(methylsulfanyl)ethene, 19698-38-5, 764-45-4, Ethene, 1,2-bis(methylthio)-, Ethylene, 1,2-bis(methylthio)-, (E)-CH3SCH=CHSCH3, SCHEMBL9518230, SCHEMBL9518242, MRWRXEYAMMSGNE-ONEGZZNKSA-N, (E)-1,2-bis(methylsulfanyl)-ethene, (E)-1,2-Bis(methylsulfanyl)ethene # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CS/C=C/SC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Thioethers |
| Classyfire Subclass | Thioenol ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 34.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1,2-bis(methylsulfanyl)ethene |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8S2 |
| Inchi Key | MRWRXEYAMMSGNE-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | ethene,1,2-bis(methylthio) |
| Esol Class | Very soluble |
| Functional Groups | CS/C=C/SC |
| Compound Name | (E)-Ethylene, 1,2-bis(methylthio)- |
| Exact Mass | 120.007 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.007 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 120.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8S2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+ |
| Smiles | CS/C=C/SC |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4