2,4,5-Trithiahexane

ScientificNameLabel

2,4,5-Trithiahexane
PHCD compound ID :	4569
Chemical Names :	2,4,5-Trithiahexane
Molecular Formula :	C3H8S3
Molecular Weight :	139.978813

More Details :

Names & Synonyms:	(methyldisulfanyl)-methylsulfanyl-methane , (methyldisulfanyl)-(methylthio)methane , (methyldisulfanyl)-methylsulfanylmethane
Smiles:	CSSCSC
InChi :	InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3
InChi Key :	InChIKey=MYIOBINSHMEDEY-UHFFFAOYSA-N
PubChem ID :	93236

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	8.563051
Hydrogen bond donor count :	0	Electric dipole moment :	1.812
XLogP :	2.179	VDW volume :	115.971485
Molecular weight :	139.978813	HOMO-LUMO gap :	7.679000

Herb list :

Wild garlic - Allium hirtifolium - موسیر

Refrences & Litretures:


703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'

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