Home Other Building Blocks Butanoic acid, 3-(methylthio)-, methyl ester

Butanoic acid, 3-(methylthio)-, methyl ester

CAS No.:
207983-28-6
Catalog Number:
AG002JE0
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
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Product Description
Catalog Number:
AG002JE0
Chemical Name:
Butanoic acid, 3-(methylthio)-, methyl ester
CAS Number:
207983-28-6
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD12779517
IUPAC Name:
methyl 3-methylsulfanylbutanoate
InChI:
InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3
InChI Key:
HJJHJUWCICDDEL-UHFFFAOYSA-N
SMILES:
CSC(CC(=O)OC)C
FEMA Number:
4166
Properties
Complexity:
93.1  
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:
4  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties