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848860-95-7 | Ethanethioic acid, trifluoro-, S-dodecyl ester
CAS No: 848860-95-7 Catalog No: AG004M97 MDL No:
Product Description
Catalog Number:
AG004M97
Chemical Name:
Ethanethioic acid, trifluoro-, S-dodecyl ester
CAS Number:
848860-95-7
Molecular Formula:
C14H25F3OS
Molecular Weight:
298.4079
IUPAC Name:
S-dodecyl 2,2,2-trifluoroethanethioate
InChI:
InChI=1S/C14H25F3OS/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17/h2-12H2,1H3
InChI Key:
DGMIJVQMJUZIKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(=O)C(F)(F)F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.408g/mol
Monoisotopic Mass:
298.158g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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