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Home > Fluorides > 160598-75-4
160598-75-4 | Ethanethioic acid, S-(4,4,5,5,5-pentafluoropentyl) ester
CAS No: 160598-75-4 Catalog No: AG001S1W MDL No:
Product Description
Catalog Number:
AG001S1W
Chemical Name:
Ethanethioic acid, S-(4,4,5,5,5-pentafluoropentyl) ester
CAS Number:
160598-75-4
Molecular Formula:
C7H9F5OS
Molecular Weight:
236.2028
IUPAC Name:
S-(4,4,5,5,5-pentafluoropentyl) ethanethioate
InChI:
InChI=1S/C7H9F5OS/c1-5(13)14-4-2-3-6(8,9)7(10,11)12/h2-4H2,1H3
InChI Key:
KHEUHEBTOQSOSU-UHFFFAOYSA-N
SMILES:
CC(=O)SCCCC(C(F)(F)F)(F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.2g/mol
Monoisotopic Mass:
236.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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