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Home > Fluorides > 139131-33-2
139131-33-2 | Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester
CAS No: 139131-33-2 Catalog No: AG001AD9 MDL No:
Product Description
Catalog Number:
AG001AD9
Chemical Name:
Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester
CAS Number:
139131-33-2
Molecular Formula:
C7H7FO2S2
Molecular Weight:
206.2577
IUPAC Name:
1-fluoro-4-methylsulfanylsulfonylbenzene
InChI:
InChI=1S/C7H7FO2S2/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:
ZFYNQMVGDIFEJM-UHFFFAOYSA-N
SMILES:
CSS(=O)(=O)c1ccc(cc1)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.249g/mol
Monoisotopic Mass:
205.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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