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114659-68-6 | Thiophene, 3-[(trifluoromethyl)sulfonyl]-
CAS No: 114659-68-6 Catalog No: AG000EYT MDL No:
Product Description
Catalog Number:
AG000EYT
Chemical Name:
Thiophene, 3-[(trifluoromethyl)sulfonyl]-
CAS Number:
114659-68-6
Molecular Formula:
C5H3F3O2S2
Molecular Weight:
216.2013
IUPAC Name:
3-(trifluoromethylsulfonyl)thiophene
InChI:
InChI=1S/C5H3F3O2S2/c6-5(7,8)12(9,10)4-1-2-11-3-4/h1-3H
InChI Key:
QQWLUHZZBOZHCC-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)c1cscc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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