2-furfuryl mercaptan

ScientificNameLabel

2-furfuryl mercaptan
PHCD compound ID :	4018
Chemical Names :	2-furfuryl mercaptan
Molecular Formula :	C5H6O1S1
Molecular Weight :	114.013936

More Details :

Names & Synonyms:	2-furylmethanethiol , 2-furanylmethanethiol , furan-2-ylmethanethiol
Smiles:	SCc1ccco1
InChi :	InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
InChi Key :	InChIKey=ZFFTZDQKIXPDAF-UHFFFAOYSA-N
PubChem ID :	7363

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.013475
Hydrogen bond donor count :	0	Electric dipole moment :	1.523
XLogP :	1.089	VDW volume :	93.806256
Molecular weight :	114.013936	HOMO-LUMO gap :	8.490000

Herb list :

Hazel, Filbert - Corylus avellana - فندق

Refrences & Litretures:


553. Journal:'J. Agric. Food Chem' Year:'2013' Volume:'61' Page:'5226' DOI:'10.1021/jf400807w' Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'

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