Q27292795

[object Object]
NameDiallyl tetrasulfide
WikidataQ27292795
Mol. formulaC6H10S4
CAS registry number-
Mol. weight210.4082

Representations

Temporary LOTUS idLTS0005396
NameDiallyl tetrasulfide
Canonical SMILESC=CCSSSSCC=C
2D SMILESC=CCSSSSCC=C
IUPAC namebis(prop-2-en-1-yl)tetrasulfane
InChIInChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
InChIKeyRMKCQUWJDRTEHE-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Bignoniaceae  Mansoa  Mansoa alliacea Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Bignoniaceae  Adenocalymma Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium  Allium sativum Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium  Allium sativum Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium  Allium ramosum Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium  Allium ursinum Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium  Allium sativum Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty acylsFatty alcohols

Molecular Properties

Total atom number20
Heavy atom number10
Bond count9
Number of carbons6
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1
Alogp3.8
Alogp214.44
Apol 28.8279
Bpol 13.2121
EccentricConnectivityIndexDescriptor 122
FmfDescriptor 0
Fsp3 0.3333
FragmentComplexityDescriptor 271.04
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber165
Xlogp 2.776
ZagrebIndex 34
TopoPSA 101.2