Trimethyl(propylsulfanyl)stannane

CAS Number: 1000-57-3
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CCCS[Sn](C)(C)C
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: low
Formula
C6H16SSn
Molecular Weight
238.969
Drug-likeness
-7.4261
CAS
1000-57-3
InChI key
XSHHHXXCASXJAZ-UHFFFAOYSA-M
SMILES
CCCS[Sn](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 1000-57-3
Molecule Name Trimethyl(propylsulfanyl)stannane
Molecular Formula C6H16SSn
SMILES CCCS[Sn](C)(C)C
InChI InChI=1S/C3H8S.3CH3.Sn/c1-2-3-4;;;;/h4H,2-3H2,1H3;3*1H3;/q;;;;+1/p-1
InChI Key XSHHHXXCASXJAZ-UHFFFAOYSA-M
CanonicalSyTyLFy db5bccfaf746b45a
TotalMolweight 238.969
Molecular Weight 238.969
MonoisotopicMass 239.99947
CLogP 3.5194
CLogS -2.034
TotalSurfaceArea 121.05
Relative PSA 0.14449
PolarSurfaceArea 25.3
Drug-likeness -7.4261
Mutagenic high
Tumorigenic none
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.75
Molecula Flexibility 0.80735
Molecular Complexity 0.53648
Fragments 1
Non HAtoms 8
NonCHAtoms 2
Metal Atoms 1
Electronegative Atoms 1
Rotatable Bond 3
Sp3Atoms 7
Symmetricatoms 2

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