Ammonium tetrathiomolybdate

CAS Number: 15060-55-6
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S=[Mo-2](=S)(=S)=S.[NH4+].[NH4+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
MoS4.H4N.H4N
Molecular Weight
224.204
Drug-likeness
-2.3875
CAS
15060-55-6
InChI key
PDAXSLIRCAICGW-UHFFFAOYSA-P
SMILES
S=[Mo-2](=S)(=S)=S.[NH4+].[NH4+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 15060-55-6
Molecule Name Ammonium tetrathiomolybdate
Molecular Formula MoS4.H4N.H4N
SMILES S=[Mo-2](=S)(=S)=S.[NH4+].[NH4+]
InChI InChI=1S/Mo.2H3N.4S/h;2*1H3;;;;/q-2;;;;;;/p+2
InChI Key PDAXSLIRCAICGW-UHFFFAOYSA-P
CanonicalSyTyLFy 2a0e9761095fa71e
TotalMolweight 260.282
Molecular Weight 224.204
MonoisotopicMass 225.793686
CLogS -0.53
TotalSurfaceArea 112
Relative PSA 1
PolarSurfaceArea 128.36
Drug-likeness -2.3875
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.6
Molecular Complexity 0.54931
Fragments 3
Non HAtoms 5
NonCHAtoms 5
Metal Atoms 1
Electronegative Atoms 4
Sp3Atoms 4
Symmetricatoms 3

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