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Home > Fluorides > 263147-79-1
263147-79-1 | Ethanethioamide, 2-[[4-(trifluoromethyl)phenyl]sulfonyl]-
CAS No: 263147-79-1 Catalog No: AG002SOJ MDL No:MFCD01765369
Product Description
Catalog Number:
AG002SOJ
Chemical Name:
Ethanethioamide, 2-[[4-(trifluoromethyl)phenyl]sulfonyl]-
CAS Number:
263147-79-1
Molecular Formula:
C9H8F3NO2S2
Molecular Weight:
283.2905
MDL Number:
MFCD01765369
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]sulfonylethanethioamide
InChI:
InChI=1S/C9H8F3NO2S2/c10-9(11,12)6-1-3-7(4-2-6)17(14,15)5-8(13)16/h1-4H,5H2,(H2,13,16)
InChI Key:
QLZWOMZLTKOQLK-UHFFFAOYSA-N
SMILES:
NC(=S)CS(=O)(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
282.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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