iodo(triisothiocyanato)stannane

C3IN3S3Sn — CID 71328731

IUPACiodo(triisothiocyanato)stannane
SMILESS=C=N[Sn](I)(N=C=S)N=C=S
InChIInChI=1S/3CNS.HI.Sn/c3*2-1-3;;/h;;;1H;/q3*-1;;+4/p-1
InChIKeyDQDZGKNKXNEOOP-UHFFFAOYSA-M
MW419.87 g/mol
LogP2.17
Rot. Bonds3

About iodo(triisothiocyanato)stannane

iodo(triisothiocyanato)stannane (PubChem CID 71328731) has the molecular formula C3IN3S3Sn and a molecular weight of 419.87 g/mol. Its IUPAC name is iodo(triisothiocyanato)stannane.

Molecular Properties

Compound Nameiodo(triisothiocyanato)stannane
PubChem CID71328731
Molecular FormulaC3IN3S3Sn
Molecular Weight419.87 g/mol
Exact Mass420.73
IUPAC Nameiodo(triisothiocyanato)stannane
SMILESS=C=N[Sn](I)(N=C=S)N=C=S
InChIInChI=1S/3CNS.HI.Sn/c3*2-1-3;;/h;;;1H;/q3*-1;;+4/p-1
InChIKeyDQDZGKNKXNEOOP-UHFFFAOYSA-M
XLogP2.17
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 iodo(triisothiocyanato)stannane?
The IUPAC name of iodo(triisothiocyanato)stannane (CID 71328731) is iodo(triisothiocyanato)stannane.
What is the SMILES notation for iodo(triisothiocyanato)stannane?
The canonical SMILES for iodo(triisothiocyanato)stannane is S=C=N[Sn](I)(N=C=S)N=C=S.
What is the InChIKey of iodo(triisothiocyanato)stannane?
The InChIKey is DQDZGKNKXNEOOP-UHFFFAOYSA-M. The full InChI is InChI=1S/3CNS.HI.Sn/c3*2-1-3;;/h;;;1H;/q3*-1;;+4/p-1.
What are the key properties of iodo(triisothiocyanato)stannane?
iodo(triisothiocyanato)stannane has a molecular weight of 419.87 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(triisothiocyanato)stannane is sourced from PubChem (CID 71328731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).