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Home > Fluorides > 1314902-80-1
1314902-80-1 | 2-(3-Fluoro-2-methylphenyl)ethanethiol
CAS No: 1314902-80-1 Catalog No: AG01FCMA MDL No:
Product Description
Catalog Number:
AG01FCMA
Chemical Name:
2-(3-Fluoro-2-methylphenyl)ethanethiol
CAS Number:
1314902-80-1
Molecular Formula:
C9H11FS
Molecular Weight:
170.2470
IUPAC Name:
2-(3-fluoro-2-methylphenyl)ethanethiol
InChI:
InChI=1S/C9H11FS/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4,11H,5-6H2,1H3
InChI Key:
HULMPQMTQYFOBC-UHFFFAOYSA-N
SMILES:
Cc1c(CCS)cccc1F
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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