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101421-82-3,MFCD20639370
Catalog No.:AA0004DS
101421-82-3 | 4-(Acetylsulfanyl)butanoic acid
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500mg
tech grade
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$1,097.00   $768.00
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Technical Information
Catalog Number:
AA0004DS
Chemical Name:
4-(Acetylsulfanyl)butanoic acid
CAS Number:
101421-82-3
Molecular Formula:
C6H10O3S
Molecular Weight:
162.2068
MDL Number:
MFCD20639370
IUPAC Name:
4-acetylsulfanylbutanoic acid
InChI:
InChI=1S/C6H10O3S/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9)
InChI Key:
OTORAPMCRFGVJV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSC(=O)C
Properties
Computed Properties
 
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.203g/mol
Monoisotopic Mass:
162.035g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
Butanoic acid, 4-(acetylthio)- 
101421-82-3 
A1-06638 
S-acetyl-4-mercaptobutyric acid 
ACMC-20m4h4 
SCHEMBL1820452 
4-(Acetylsulfanyl)butanoic acid 
CTK0G8208 
DTXSID10590942 
AKOS030570814 
FCH1218931 
Literature
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