Home Other Building Blocks methyl 3-[(trifluoromethyl)sulfanyl]propanoate

methyl 3-[(trifluoromethyl)sulfanyl]propanoate

CAS No.:
29271-31-6
Catalog Number:
AG01BDKR
Molecular Formula:
C5H7F3O2S
Molecular Weight:
188.1681
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Product Description
Catalog Number:
AG01BDKR
Chemical Name:
methyl 3-[(trifluoromethyl)sulfanyl]propanoate
CAS Number:
29271-31-6
Molecular Formula:
C5H7F3O2S
Molecular Weight:
188.1681
MDL Number:
MFCD28118258
IUPAC Name:
methyl 3-(trifluoromethylsulfanyl)propanoate
InChI:
InChI=1S/C5H7F3O2S/c1-10-4(9)2-3-11-5(6,7)8/h2-3H2,1H3
InChI Key:
OOHULTFMLIFDPM-UHFFFAOYSA-N
SMILES:
COC(=O)CCSC(F)(F)F
Properties
Complexity:
134  
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:
0
Isotope Atom Count:
0
Molecular Weight:
188.164g/mol
Monoisotopic Mass:
188.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties