Home Other Building Blocks 3-(azetidin-3-yl)-1lambda6-thietane-1,1-dione, trifluoroacetic acid

3-(azetidin-3-yl)-1lambda6-thietane-1,1-dione, trifluoroacetic acid

CAS No.:
1864061-26-6
Catalog Number:
AG01C19W
Molecular Formula:
C8H12F3NO4S
Molecular Weight:
275.2454
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Product Description
Catalog Number:
AG01C19W
Chemical Name:
3-(azetidin-3-yl)-1lambda6-thietane-1,1-dione, trifluoroacetic acid
CAS Number:
1864061-26-6
Molecular Formula:
C8H12F3NO4S
Molecular Weight:
275.2454
MDL Number:
MFCD29041337
IUPAC Name:
3-(azetidin-3-yl)thietane 1,1-dioxide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO2S.C2HF3O2/c8-10(9)3-6(4-10)5-1-7-2-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7)
InChI Key:
XMLKWCXDNVOSMN-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC(C1)C1CNC1.OC(=O)C(F)(F)F
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.044g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.242g/mol
Monoisotopic Mass:
275.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties