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Home > Fluorides > 187868-29-7
187868-29-7 | Sulfonium, methyl[4-(methylthio)phenyl]phenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 187868-29-7 Catalog No: AG002GJ2 MDL No:
Product Description
Catalog Number:
AG002GJ2
Chemical Name:
Sulfonium, methyl[4-(methylthio)phenyl]phenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
187868-29-7
Molecular Formula:
C15H15F3O3S3
Molecular Weight:
396.4680
IUPAC Name:
methyl-(4-methylsulfanylphenyl)-phenylsulfanium;trifluoromethanesulfonate
InChI:
InChI=1S/C14H15S2.CHF3O3S/c1-15-12-8-10-14(11-9-12)16(2)13-6-4-3-5-7-13;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key:
OEMQHKIRYKSFQC-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.CSc1ccc(cc1)[S+](c1ccccc1)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.014g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.457g/mol
Monoisotopic Mass:
396.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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