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

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

CAS No.:
1461707-51-6
Catalog Number:
AG01A6ES
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
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Product Description
Catalog Number:
AG01A6ES
Chemical Name:
3,3-dimethyl-2-(methylsulfanyl)butanoic acid
CAS Number:
1461707-51-6
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD25371804
IUPAC Name:
3,3-dimethyl-2-methylsulfanylbutanoic acid
InChI:
InChI=1S/C7H14O2S/c1-7(2,3)5(10-4)6(8)9/h5H,1-4H3,(H,8,9)
InChI Key:
AAZGYBWJHDIPMX-UHFFFAOYSA-N
SMILES:
CSC(C(C)(C)C)C(=O)O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties