Q27292795
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| Name | Diallyl tetrasulfide |
| Wikidata | Q27292795 |
| Mol. formula | C6H10S4 |
| CAS registry number | - |
| Mol. weight | 210.4082 |
Representations
| Temporary LOTUS id | LTS0005396 |
| Name | Diallyl tetrasulfide |
| Canonical SMILES | C=CCSSSSCC=C |
| 2D SMILES | C=CCSSSSCC=C |
| IUPAC name | bis(prop-2-en-1-yl)tetrasulfane |
| InChI | InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | RMKCQUWJDRTEHE-UHFFFAOYSA-N |
| Deep SMILES | could not be computed |
| Murcko Framework | not applicable |
Organism taxonomy
Chemical ontology
| Pathway | Superclass | Class |
| Fatty acids | Fatty acyls | Fatty alcohols |
Molecular Properties
| Total atom number | 20 |
| Heavy atom number | 10 |
| Bond count | 9 |
| Number of carbons | 6 |
| Minimal number of rings | 0 |
| Maximal number of rings | 0 |
Molecular Descriptors
| NP-likeness score | 1 |
| Alogp | 3.8 |
| Alogp2 | 14.44 |
| Apol | 28.8279 |
| Bpol | 13.2121 |
| EccentricConnectivityIndexDescriptor | 122 |
| FmfDescriptor | 0 |
| Fsp3 | 0.3333 |
| FragmentComplexityDescriptor | 271.04 |
| PetitjeanNumber | 0.4444 |
| LipinskiRuleOf5Failures | 0 |
| WienerPathNumber | 165 |
| Xlogp | 2.776 |
| ZagrebIndex | 34 |
| TopoPSA | 101.2 |
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