Dipotassium (ethane-1,2-diyldisulfanediyl)bis(iminomethanethiolate)

CAS Number: 10039-34-6
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N=C([S-])SCCSC([S-])=N.[K+].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.K.C4H6N2S4
Molecular Weight
210.37
Drug-likeness
-7.7947
CAS
10039-34-6
InChI key
GMKGDUGPXJDRRM-UHFFFAOYSA-L
SMILES
N=C([S-])SCCSC([S-])=N.[K+].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10039-34-6
Molecule Name Dipotassium (ethane-1,2-diyldisulfanediyl)bis(iminomethanethiolate)
Molecular Formula K.K.C4H6N2S4
SMILES N=C([S-])SCCSC([S-])=N.[K+].[K+]
InChI InChI=1S/C4H8N2S4.2K/c5-3(7)9-1-2-10-4(6)8;;/h1-2H2,(H2,5,7)(H2,6,8);;/q;2*+1/p-2
InChI Key GMKGDUGPXJDRRM-UHFFFAOYSA-L
CanonicalSyTyLFy ac8f3095a0bb0c27
TotalMolweight 288.566
Molecular Weight 210.37
MonoisotopicMass 209.941378
CLogP 0.8268
CLogS -2.148
H Acceptors 2
H Donors 2
TotalSurfaceArea 103.12
Relative PSA 0.64178
PolarSurfaceArea 98.3
Drug-likeness -7.7947
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecula Flexibility 0.80106
Molecular Complexity 0.51986
Fragments 3
Non HAtoms 10
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 5
Sp3Atoms 6
Symmetricatoms 5

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