triiodo(isothiocyanato)stannane

CI3NSSn — CID 16684804

IUPACtriiodo(isothiocyanato)stannane
SMILESS=C=N[Sn](I)(I)I
InChIInChI=1S/CNS.3HI.Sn/c2-1-3;;;;/h;3*1H;/q-1;;;;+4/p-3
InChIKeyMCQXSICHDSFHJT-UHFFFAOYSA-K
MW557.51 g/mol
LogP2.83
Rot. Bonds1

About triiodo(isothiocyanato)stannane

triiodo(isothiocyanato)stannane (PubChem CID 16684804) has the molecular formula CI3NSSn and a molecular weight of 557.51 g/mol. Its IUPAC name is triiodo(isothiocyanato)stannane.

Molecular Properties

Compound Nametriiodo(isothiocyanato)stannane
PubChem CID16684804
Molecular FormulaCI3NSSn
Molecular Weight557.51 g/mol
Exact Mass558.59
IUPAC Nametriiodo(isothiocyanato)stannane
SMILESS=C=N[Sn](I)(I)I
InChIInChI=1S/CNS.3HI.Sn/c2-1-3;;;;/h;3*1H;/q-1;;;;+4/p-3
InChIKeyMCQXSICHDSFHJT-UHFFFAOYSA-K
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triiodo(isothiocyanato)stannane?
The IUPAC name of triiodo(isothiocyanato)stannane (CID 16684804) is triiodo(isothiocyanato)stannane.
What is the SMILES notation for triiodo(isothiocyanato)stannane?
The canonical SMILES for triiodo(isothiocyanato)stannane is S=C=N[Sn](I)(I)I.
What is the InChIKey of triiodo(isothiocyanato)stannane?
The InChIKey is MCQXSICHDSFHJT-UHFFFAOYSA-K. The full InChI is InChI=1S/CNS.3HI.Sn/c2-1-3;;;;/h;3*1H;/q-1;;;;+4/p-3.
What are the key properties of triiodo(isothiocyanato)stannane?
triiodo(isothiocyanato)stannane has a molecular weight of 557.51 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triiodo(isothiocyanato)stannane is sourced from PubChem (CID 16684804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).