Name | Diallyl tetrasulfide |
Wikidata | Q27292795 |
Mol. formula | C6H10S4 |
CAS registry number | - |
Mol. weight | 210.4082 |
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 |
Pathway | Superclass | Class |
Fatty acids | Fatty acyls | Fatty alcohols |
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 |
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 |