2-[Bis(trichlorosilyl)amino]-1,1,1,3,3,3-hexachlorodisilazane

CAS Number: 657410-07-6
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Cl[Si](N(N([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)(Cl)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
N2Cl12Si4
Molecular Weight
565.794
Drug-likeness
-20.51
CAS
657410-07-6
InChI key
UPBLIGRZGKTXFC-UHFFFAOYSA-N
SMILES
Cl[Si](N(N([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)(Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 657410-07-6
Molecule Name 2-[Bis(trichlorosilyl)amino]-1,1,1,3,3,3-hexachlorodisilazane
Molecular Formula N2Cl12Si4
SMILES Cl[Si](N(N([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)(Cl)Cl
InChI InChI=1S/Cl12N2Si4/c1-15(2,3)13(16(4,5)6)14(17(7,8)9)18(10,11)12
InChI Key UPBLIGRZGKTXFC-UHFFFAOYSA-N
CanonicalSyTyLFy c5b8da5307010fa
TotalMolweight 565.794
Molecular Weight 565.794
MonoisotopicMass 559.54008
CLogS -8.942
H Acceptors 2
TotalSurfaceArea 273.14
Relative PSA 0.025994
PolarSurfaceArea 6.48
Drug-likeness -20.51
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.33333
Molecula Flexibility 0.8478
Molecular Complexity 0.57758
Fragments 1
Non HAtoms 18
NonCHAtoms 18
Electronegative Atoms 14
Rotatable Bond 5
Sp3Atoms 2
Symmetricatoms 15

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