Propyl 1-propenyl tetrasulfide
PubChem CID: 5352692
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| Compound Synonyms | propyl 1-propenyl tetrasulfide, Propyl 1-propenyl tetrasulfide, (E)-, SCHEMBL6658853, RKTJCWCBNXCDDQ-HWKANZROSA-N, RKTJCWCBNXCDDQ-UHFFFAOYSA-N, Propyl (E)-1-propenyl tetrasulfide |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[[(E)-prop-1-enyl]tetrasulfanyl]propane |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C6H12S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKTJCWCBNXCDDQ-HWKANZROSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.103 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.587 |
| Compound Name | Propyl 1-propenyl tetrasulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.982 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.982 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 212.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.903066 |
| Inchi | InChI=1S/C6H12S4/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| Smiles | CCCSSSS/C=C/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients