Home Other Building Blocks Methyl 4-(methylthio)butanoate

Methyl 4-(methylthio)butanoate

CAS No.:
53053-51-3
Catalog Number:
AG003RTZ
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
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Product Description
Catalog Number:
AG003RTZ
Chemical Name:
Methyl 4-(methylthio)butanoate
CAS Number:
53053-51-3
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD00009849
IUPAC Name:
methyl 4-methylsulfanylbutanoate
InChI:
InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChI Key:
HQDLZISNHUMXEA-UHFFFAOYSA-N
SMILES:
CSCCCC(=O)OC
EC Number:
258-328-7
UNII:
36I1Z35638
FEMA Number:
3412
Properties
Complexity:
83.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties