(2-Ethylphenyl)(trimethyl)stannane

CAS Number: 55204-74-5
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CCc(cccc1)c1[Sn](C)(C)C
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C11H18Sn
Molecular Weight
268.974
Drug-likeness
-7.83
CAS
55204-74-5
InChI key
KLRJMRPNVJVIBM-UHFFFAOYSA-N
SMILES
CCc(cccc1)c1[Sn](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: high
PropertyValue
CAS Number 55204-74-5
Molecule Name (2-Ethylphenyl)(trimethyl)stannane
Molecular Formula C11H18Sn
SMILES CCc(cccc1)c1[Sn](C)(C)C
InChI InChI=1S/C8H9.3CH3.Sn/c1-2-8-6-4-3-5-7-8;;;;/h3-6H,2H2,1H3;3*1H3;
InChI Key KLRJMRPNVJVIBM-UHFFFAOYSA-N
CanonicalSyTyLFy 9c7b9a26612476ff
TotalMolweight 268.974
Molecular Weight 268.974
MonoisotopicMass 270.04305
CLogP 4.2326
CLogS -2.508
TotalSurfaceArea 149.56
Drug-likeness -7.83
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant low
Nasty Functions unwanted atom
Shape Index 0.5
Molecula Flexibility 0.52169
Molecular Complexity 0.60626
Fragments 1
Non HAtoms 12
NonCHAtoms 1
Metal Atoms 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 2

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