Home Other Building Blocks 2-methyl-3-[(trifluoromethyl)sulfanyl]propanoic acid

2-methyl-3-[(trifluoromethyl)sulfanyl]propanoic acid

CAS No.:
1354954-31-6
Catalog Number:
AG019SH8
Molecular Formula:
C5H7F3O2S
Molecular Weight:
188.1681
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Product Description
Catalog Number:
AG019SH8
Chemical Name:
2-methyl-3-[(trifluoromethyl)sulfanyl]propanoic acid
CAS Number:
1354954-31-6
Molecular Formula:
C5H7F3O2S
Molecular Weight:
188.1681
MDL Number:
MFCD20502089
IUPAC Name:
2-methyl-3-(trifluoromethylsulfanyl)propanoic acid
InChI:
InChI=1S/C5H7F3O2S/c1-3(4(9)10)2-11-5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChI Key:
HZVCHEKQOTXKLH-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CSC(F)(F)F
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.164g/mol
Monoisotopic Mass:
188.012g/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