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Home > Fluorides > 1314931-97-9
1314931-97-9 | 2-(4-Fluoro-2-methylphenyl)ethanethiol
CAS No: 1314931-97-9 Catalog No: AG01FCMI MDL No:
Product Description
Catalog Number:
AG01FCMI
Chemical Name:
2-(4-Fluoro-2-methylphenyl)ethanethiol
CAS Number:
1314931-97-9
Molecular Formula:
C9H11FS
Molecular Weight:
170.2470
IUPAC Name:
2-(4-fluoro-2-methylphenyl)ethanethiol
InChI:
InChI=1S/C9H11FS/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6,11H,4-5H2,1H3
InChI Key:
WCTPUGPDDJLZQY-UHFFFAOYSA-N
SMILES:
SCCc1ccc(cc1C)F
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.057g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.245g/mol
Monoisotopic Mass:
170.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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