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51755-83-0

51755-83-0 | 3-Mercaptohexan-1-ol

CAS No: 51755-83-0 Catalog No: AG003JM9 MDL No:MFCD00792515

Product Description

Catalog Number:
AG003JM9
Chemical Name:
3-Mercaptohexan-1-ol
CAS Number:
51755-83-0
Molecular Formula:
C6H14OS
Molecular Weight:
134.2398
MDL Number:
MFCD00792515
IUPAC Name:
3-sulfanylhexan-1-ol
InChI:
InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
InChI Key:
TYZFMFVWHZKYSE-UHFFFAOYSA-N
SMILES:
CCCC(CCO)S
FEMA Number:
3850

Properties

Complexity:
47.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.077g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
134.237g/mol
Monoisotopic Mass:
134.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

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Validation of a nanoliquid chromatography-tandem mass spectrometry method for the identification and the accurate quantification by isotopic dilution of glutathionylated and cysteinylated precursors of 3-mercaptohexan-1-ol and 4-mercapto-4-methylpentan-2-one in white grape juices. Journal of chromatography. A 20100305
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Impact of oxygen dissolved at bottling and transmitted through closures on the composition and sensory properties of a Sauvignon Blanc wine during bottle storage. Journal of agricultural and food chemistry 20091111
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