Potassium thiosulfate hydrate

CAS Number: 13446-67-8
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[O-]S([O-])(=O)=S.O.[K+].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.K.O3S2.H2O
Molecular Weight
112.129
Drug-likeness
-4.615
CAS
13446-67-8
InChI key
RCEMYQVDTALKQN-UHFFFAOYSA-L
SMILES
[O-]S([O-])(=O)=S.O.[K+].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13446-67-8
Molecule Name Potassium thiosulfate hydrate
Molecular Formula K.K.O3S2.H2O
SMILES [O-]S([O-])(=O)=S.O.[K+].[K+]
InChI InChI=1S/2K.H2O3S2.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2/q2*+1;;/p-2
InChI Key RCEMYQVDTALKQN-UHFFFAOYSA-L
CanonicalSyTyLFy a7a1e729be8cc6cc
TotalMolweight 208.34
Molecular Weight 112.129
MonoisotopicMass 111.928885
CLogP -5.1782
CLogS -0.074
H Acceptors 3
TotalSurfaceArea 72.1
Relative PSA 1
PolarSurfaceArea 103.66
Drug-likeness -4.615
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.69315
Fragments 4
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 4
Symmetricatoms 1

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