3-(methylthio)-1-propanol

ScientificNameLabel

3-(methylthio)-1-propanol
PHCD compound ID :	664
Chemical Names :	3-(methylthio)-1-propanol
Molecular Formula :	C4H10O1S1
Molecular Weight :	106.045236

More Details :

Names & Synonyms:	3-methylsulfanylpropan-1-ol , 3-(methylthio)-1-propanol , 3-(methylthio)propan-1-ol
Smiles:	CSCCCO
InChi :	InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChi Key :	InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N
PubChem ID :	10448

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.490255
Hydrogen bond donor count :	1	Electric dipole moment :	3.549
XLogP :	0.895	VDW volume :	105.039648
Molecular weight :	106.045236	HOMO-LUMO gap :	8.681000

Herb list :

Grape, Vine grape - Vitis vinifera - انگور

Refrences & Litretures:


40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'

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

Follow us