4-mercapto-4-methylpentan-2-ol

ScientificNameLabel

4-mercapto-4-methylpentan-2-ol
PHCD compound ID :	682
Chemical Names :	4-mercapto-4-methylpentan-2-ol
Molecular Formula :	C6H14O1S1
Molecular Weight :	134.076536

More Details :

Names & Synonyms:	4-methyl-4-sulfanyl-pentan-2-ol , 4-mercapto-4-methyl-2-pentanol , 4-methyl-4-sulfanylpentan-2-ol , 4-mercapto-4-methyl-pentan-2-ol
Smiles:	C[C@@H](CC(S)(C)C)O
InChi :	InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChi Key :	InChIKey=FDBQLLMYSACLPB-YFKPBYRVSA-N
PubChem ID :	6429308

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.816105
Hydrogen bond donor count :	1	Electric dipole moment :	2.716
XLogP :	1.683	VDW volume :	139.631617
Molecular weight :	134.076536	HOMO-LUMO gap :	8.644000

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'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us