Home Other Building Blocks 2,2-dimethyl-3-(methylsulfanyl)propanoic acid

2,2-dimethyl-3-(methylsulfanyl)propanoic acid

CAS No.:
37695-38-8
Catalog Number:
AG01BEE7
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
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Product Description
Catalog Number:
AG01BEE7
Chemical Name:
2,2-dimethyl-3-(methylsulfanyl)propanoic acid
CAS Number:
37695-38-8
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD18431159
IUPAC Name:
2,2-dimethyl-3-methylsulfanylpropanoic acid
InChI:
InChI=1S/C6H12O2S/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key:
FQIWBMWNNPWQTI-UHFFFAOYSA-N
SMILES:
CSCC(C(=O)O)(C)C
Properties
Complexity:
110  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties