Home Other Building Blocks 2-(trifluoromethyl)-1,3-oxathiolan-5-one

2-(trifluoromethyl)-1,3-oxathiolan-5-one

CAS No.:
79413-31-3
Catalog Number:
AG019NEH
Molecular Formula:
C4H3F3O2S
Molecular Weight:
172.1256
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Product Description
Catalog Number:
AG019NEH
Chemical Name:
2-(trifluoromethyl)-1,3-oxathiolan-5-one
CAS Number:
79413-31-3
Molecular Formula:
C4H3F3O2S
Molecular Weight:
172.1256
MDL Number:
MFCD06660750
IUPAC Name:
2-(trifluoromethyl)-1,3-oxathiolan-5-one
InChI:
InChI=1S/C4H3F3O2S/c5-4(6,7)3-9-2(8)1-10-3/h3H,1H2
InChI Key:
BYWPRQGFDWGIGV-UHFFFAOYSA-N
SMILES:
FC(C1SCC(=O)O1)(F)F
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.981g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.121g/mol
Monoisotopic Mass:
171.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties