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Home > Fluorides > 136708-89-9
136708-89-9 | 2(3H)-Thiazolethione, 4-[(acetyloxy)methyl]-3-(2,3,4-trifluorophenyl)-
CAS No: 136708-89-9 Catalog No: AG001297 MDL No:
Product Description
Catalog Number:
AG001297
Chemical Name:
2(3H)-Thiazolethione, 4-[(acetyloxy)methyl]-3-(2,3,4-trifluorophenyl)-
CAS Number:
136708-89-9
Molecular Formula:
C12H8F3NO2S2
Molecular Weight:
319.3226
IUPAC Name:
[2-sulfanylidene-3-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]methyl acetate
InChI:
InChI=1S/C12H8F3NO2S2/c1-6(17)18-4-7-5-20-12(19)16(7)9-3-2-8(13)10(14)11(9)15/h2-3,5H,4H2,1H3
InChI Key:
GOXRPDOFGWBSAY-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1csc(=S)n1c1ccc(c(c1F)F)F
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.995g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.316g/mol
Monoisotopic Mass:
318.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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