Home Other Building Blocks 3-methyl-2-(methylthio)butanoic acid

3-methyl-2-(methylthio)butanoic acid

CAS No.:
58475-11-9
Catalog Number:
AG01DWII
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
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Product Description
Catalog Number:
AG01DWII
Chemical Name:
3-methyl-2-(methylthio)butanoic acid
CAS Number:
58475-11-9
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD12823553
IUPAC Name:
3-methyl-2-methylsulfanylbutanoic acid
InChI:
InChI=1S/C6H12O2S/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChI Key:
GOOVJDJKUPKFBP-UHFFFAOYSA-N
SMILES:
CSC(C(=O)O)C(C)C
Properties
Complexity:
101  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties