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Home Other Building Blocks 3-(Ethylthio)propan-1-ol

3-(Ethylthio)propan-1-ol

CAS No.:
18721-61-4
Catalog Number:
AG003I87
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
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Product Description
Catalog Number:
AG003I87
Chemical Name:
3-(Ethylthio)propan-1-ol
CAS Number:
18721-61-4
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
MDL Number:
MFCD00236041
IUPAC Name:
3-ethylsulfanylpropan-1-ol
InChI:
InChI=1S/C5H12OS/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChI Key:
KRUJXSIEMOWXOF-UHFFFAOYSA-N
SMILES:
OCCCSCC
EC Number:
242-534-9
NSC Number:
139001
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
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