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Home > Fluorides > 1314904-43-2
1314904-43-2 | 2-(3,4,5-Trifluorophenyl)ethanethiol
CAS No: 1314904-43-2 Catalog No: AG01FDHS MDL No:
Product Description
Catalog Number:
AG01FDHS
Chemical Name:
2-(3,4,5-Trifluorophenyl)ethanethiol
CAS Number:
1314904-43-2
Molecular Formula:
C8H7F3S
Molecular Weight:
192.2014
IUPAC Name:
2-(3,4,5-trifluorophenyl)ethanethiol
InChI:
InChI=1S/C8H7F3S/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4,12H,1-2H2
InChI Key:
ZAEYJOBIBNYKBL-UHFFFAOYSA-N
SMILES:
SCCc1cc(F)c(c(c1)F)F
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.199g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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