Potassium 4-fluorobenzene-1-thiolate

CAS Number: 132130-83-7
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Fc(cc1)ccc1[S-].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C6H4FS
Molecular Weight
127.162
Drug-likeness
-3.6975
CAS
132130-83-7
InChI key
XSLXFZSWOBWFMB-UHFFFAOYSA-M
SMILES
Fc(cc1)ccc1[S-].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 132130-83-7
Molecule Name Potassium 4-fluorobenzene-1-thiolate
Molecular Formula K.C6H4FS
SMILES Fc(cc1)ccc1[S-].[K+]
InChI InChI=1S/C6H5FS.K/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChI Key XSLXFZSWOBWFMB-UHFFFAOYSA-M
CanonicalSyTyLFy e7be6f204472ddf4
TotalMolweight 166.26
Molecular Weight 127.162
MonoisotopicMass 127.001773
CLogP 1.7629
CLogS -3.036
TotalSurfaceArea 72.86
Drug-likeness -3.6975
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecular Complexity 0.59947
Fragments 2
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 2

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