Proxan-potassium

CAS Number: 140-92-1
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CC(C)OC([S-])=S.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C4H7OS2
Molecular Weight
135.231
Drug-likeness
-2.7683
CAS
140-92-1
InChI key
ZMWBGRXFDPJFGC-UHFFFAOYSA-M
SMILES
CC(C)OC([S-])=S.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 140-92-1
Molecule Name Proxan-potassium
Molecular Formula K.C4H7OS2
SMILES CC(C)OC([S-])=S.[K+]
InChI InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
InChI Key ZMWBGRXFDPJFGC-UHFFFAOYSA-M
CanonicalSyTyLFy c54ad2baedc4d3c
TotalMolweight 174.329
Molecular Weight 135.231
MonoisotopicMass 134.99383
CLogP 1.7718
CLogS -2.706
H Acceptors 1
TotalSurfaceArea 86.48
Relative PSA 0.43941
PolarSurfaceArea 41.32
Drug-likeness -2.7683
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.5823
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 7
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 6
Symmetricatoms 1

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