Potassium ethyl xanthate

CAS Number: 140-89-6
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CCOC([S-])=S.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C3H5OS2
Molecular Weight
121.204
Drug-likeness
-3.903
CAS
140-89-6
InChI key
JCBJVAJGLKENNC-UHFFFAOYSA-M
SMILES
CCOC([S-])=S.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 140-89-6
Molecule Name Potassium ethyl xanthate
Molecular Formula K.C3H5OS2
SMILES CCOC([S-])=S.[K+]
InChI InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChI Key JCBJVAJGLKENNC-UHFFFAOYSA-M
CanonicalSyTyLFy b92a5d2362c0c644
TotalMolweight 160.302
Molecular Weight 121.204
MonoisotopicMass 120.97818
CLogP 1.4125
CLogS -2.328
H Acceptors 1
TotalSurfaceArea 75.48
Relative PSA 0.50344
PolarSurfaceArea 41.32
Drug-likeness -3.903
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.64652
Molecular Complexity 0.80472
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 5

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