(1,3-Dithiane-2,2-diyl)bis(trimethylsilane)

CAS Number: 13411-46-6
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C[Si](C)(C)C1([Si](C)(C)C)SCCCS1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C10H24S2Si2
Molecular Weight
264.605
Drug-likeness
-52.767
CAS
13411-46-6
InChI key
PYMKPNBNDUHBJG-UHFFFAOYSA-N
SMILES
C[Si](C)(C)C1([Si](C)(C)C)SCCCS1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 13411-46-6
Molecule Name (1,3-Dithiane-2,2-diyl)bis(trimethylsilane)
Molecular Formula C10H24S2Si2
SMILES C[Si](C)(C)C1([Si](C)(C)C)SCCCS1
InChI InChI=1S/C10H24S2Si2/c1-13(2,3)10(14(4,5)6)11-8-7-9-12-10/h7-9H2,1-6H3
InChI Key PYMKPNBNDUHBJG-UHFFFAOYSA-N
CanonicalSyTyLFy 3fb5dd335f4ca356
TotalMolweight 264.605
Molecular Weight 264.605
MonoisotopicMass 264.085794
CLogP 5.313
CLogS -2.28
TotalSurfaceArea 187.23
Relative PSA 0.18683
PolarSurfaceArea 50.6
Drug-likeness -52.767
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.42857
Molecula Flexibility 0.60728
Molecular Complexity 0.51585
Fragments 1
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 12
Symmetricatoms 8

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