Mercury triethylsulfanium iodide (1/1/3)

CAS Number: 19493-75-5
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CC[S+](CC)CC.[I-].[I-].[I-].[Hg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Hg.I.I.I.C6H15S
Molecular Weight
119.251
Drug-likeness
-2.4599
CAS
19493-75-5
InChI key
WFOXBDXEDTWIBL-UHFFFAOYSA-K
SMILES
CC[S+](CC)CC.[I-].[I-].[I-].[Hg+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 19493-75-5
Molecule Name Mercury triethylsulfanium iodide (1/1/3)
Molecular Formula Hg.I.I.I.C6H15S
SMILES CC[S+](CC)CC.[I-].[I-].[I-].[Hg+2]
InChI InChI=1S/C6H15S.Hg.3HI/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;;3*1H/q+1;+2;;;/p-3
InChI Key WFOXBDXEDTWIBL-UHFFFAOYSA-K
CanonicalSyTyLFy 7a63cf9141371064
TotalMolweight 700.541
Molecular Weight 119.251
MonoisotopicMass 119.089445
CLogP 1.9095
CLogS -2.522
TotalSurfaceArea 98.31
Drug-likeness -2.4599
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.83552
Molecular Complexity 0.3662
Fragments 5
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 3
Sp3Atoms 7
Symmetricatoms 4

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