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Home Other Building Blocks 4-(METHYLTHIO)BUTANOL

4-(METHYLTHIO)BUTANOL

CAS No.:
20582-85-8
Catalog Number:
AG003K9L
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
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Product Description
Catalog Number:
AG003K9L
Chemical Name:
4-(METHYLTHIO)BUTANOL
CAS Number:
20582-85-8
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
MDL Number:
MFCD00002973
IUPAC Name:
4-methylsulfanylbutan-1-ol
InChI:
InChI=1S/C5H12OS/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChI Key:
JNTVUHZXIJFHAU-UHFFFAOYSA-N
SMILES:
CSCCCCO
UNII:
YL87URY6PC
FEMA Number:
3600
Properties
Complexity:
31.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.21g/mol
Monoisotopic Mass:
120.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Variation of some fermentative sulfur compounds in Italian 'millesime' classic sparkling wines during aging and storage on lees. Journal of agricultural and food chemistry 20100908
Heavy sulphur compounds, higher alcohols and esters production profile of Hanseniaspora uvarum and Hanseniaspora guilliermondii grown as pure and mixed cultures in grape must. International journal of food microbiology 20080610
Properties