3-mercaptohexan-1-ol

ScientificNameLabel

3-mercaptohexan-1-ol
PHCD compound ID :	681
Chemical Names :	3-mercaptohexan-1-ol
Molecular Formula :	C6H14O1S1
Molecular Weight :	134.076536

More Details :

Names & Synonyms:	3-sulfanylhexan-1-ol , 3-mercapto-1-hexanol , 3-mercaptohexan-1-ol
Smiles:	CCC[C@@H](CCO)S
InChi :	InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChi Key :	InChIKey=TYZFMFVWHZKYSE-LURJTMIESA-N
PubChem ID :	521348

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.989816
Hydrogen bond donor count :	1	Electric dipole moment :	2.780
XLogP :	1.755	VDW volume :	139.631617
Molecular weight :	134.076536	HOMO-LUMO gap :	8.608000

Herb list :

Grape, Vine grape - Vitis vinifera - انگور

Refrences & Litretures:


41. Journal:'J. Agric. Food Chem' Year:'1998' Volume:'46' Page:'1044' DOI:'' Title:'Development of a Method for Analyzing the Volatile Thiols Involved in the Characteristic Aroma of Wines Made from Vitis vinifera L. Cv. Sauvignon Blanc'

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