Home Other Building Blocks 5-(trifluoromethyl)-3,4-dihydro-2H-1lambda6-thiopyran-1,1-dione

5-(trifluoromethyl)-3,4-dihydro-2H-1lambda6-thiopyran-1,1-dione

CAS No.:
2137534-81-5
Catalog Number:
AG01EM6H
Molecular Formula:
C6H7F3O2S
Molecular Weight:
200.1788
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Product Description
Catalog Number:
AG01EM6H
Chemical Name:
5-(trifluoromethyl)-3,4-dihydro-2H-1lambda6-thiopyran-1,1-dione
CAS Number:
2137534-81-5
Molecular Formula:
C6H7F3O2S
Molecular Weight:
200.1788
MDL Number:
MFCD31439554
IUPAC Name:
5-(trifluoromethyl)-3,4-dihydro-2H-thiopyran 1,1-dioxide
InChI:
InChI=1S/C6H7F3O2S/c7-6(8,9)5-2-1-3-12(10,11)4-5/h4H,1-3H2
InChI Key:
YWXBSFMFEKVJJF-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCC(=C1)C(F)(F)F
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.012g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.175g/mol
Monoisotopic Mass:
200.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties