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18721-61-4,MFCD00236041
Catalog No.:AA003I5F
18721-61-4 | 3-(Ethylthio)propanol
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1g
1 week  
$181.00   $127.00
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5g
1 week  
$379.00   $265.00
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10g
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$638.00   $447.00
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Technical Information
Catalog Number:
AA003I5F
Chemical Name:
3-(Ethylthio)propanol
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
Computed 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  

Synonyms
 
3-(Ethylthio)propanol 
18721-61-4 
NSC139001 
3-ethylthiopropan-1-ol 
3-Ethylthio-1-propanol 
AC1L3ECL 
3-(ethylthio)-1-propanol 
AC1Q38HF 
AC1Q7CV8 
ACMC-1C82G 
3-ethylsulfanyl-propan-1-ol 
SCHEMBL698635 
1-Propanol, 3-(ethylthio)- 
3-(ethylsulfanyl)propan-1-ol 
CTK0H7048 
DTXSID50171991 
ZINC1723867 
STK695314 
AKOS005606720 
MCULE-6719011943 
NSC-139001 
AN-18815 
CJ-29283 
3-(ethylthio)propan-1-ol 
ST4147670 
TC-170149 
FT-0613774 
I14-102271 
C(CCO)SCC 
C5-H12-O-S 
CID87762 
AR-1C5506 
19080-53-6 
3-ethylsulfanylpropan-1-ol 
Ethyl 3-hydroxypropyl sulfide 
KRUJXSIEMOWXOF-UHFFFAOYSA-N 
MFCD00236041 
3-Ethylthiopropanol 
EINECS 242-534-9 
Literature

Title: Heavy sulphur compounds, higher alcohols and esters production profile of Hanseniaspora uvarum and Hanseniaspora guilliermondii grown as pure and mixed cultures in grape must.

Journal: International journal of food microbiology 20080610

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