(1,2-Phenylenedisulfanediyl)bis(trimethylsilane)

CAS Number: 40585-67-9
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C[Si](C)(C)Sc(cccc1)c1S[Si](C)(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C12H22S2Si2
Molecular Weight
286.611
Drug-likeness
-27.343
CAS
40585-67-9
InChI key
CZIKHKYRFRTGOO-UHFFFAOYSA-N
SMILES
C[Si](C)(C)Sc(cccc1)c1S[Si](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 40585-67-9
Molecule Name (1,2-Phenylenedisulfanediyl)bis(trimethylsilane)
Molecular Formula C12H22S2Si2
SMILES C[Si](C)(C)Sc(cccc1)c1S[Si](C)(C)C
InChI InChI=1S/C12H22S2Si2/c1-15(2,3)13-11-9-7-8-10-12(11)14-16(4,5)6/h7-10H,1-6H3
InChI Key CZIKHKYRFRTGOO-UHFFFAOYSA-N
CanonicalSyTyLFy b75aeee43195839c
TotalMolweight 286.611
Molecular Weight 286.611
MonoisotopicMass 286.070144
CLogP 5.8448
CLogS -3.598
TotalSurfaceArea 208.8
Relative PSA 0.16753
PolarSurfaceArea 50.6
Drug-likeness -27.343
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.5
Molecula Flexibility 0.61301
Molecular Complexity 0.58251
Fragments 1
Non HAtoms 16
NonCHAtoms 4
Electronegative Atoms 2
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 10

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