diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane

C10H8I2N2O2S2Sn — CID 172706467

IUPACdiiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane
SMILES[O-][n+]1ccccc1S[Sn](I)(I)Sc1cccc[n+]1[O-]
InChIInChI=1S/2C5H5NOS.2HI.Sn/c2*7-6-4-2-1-3-5(6)8;;;/h2*1-4,8H;2*1H;/q;;;;+4/p-4
InChIKeyDQQPEZKOHAOCPL-UHFFFAOYSA-J
MW624.84 g/mol
LogP3.14
Rot. Bonds4

About diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane

diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane (PubChem CID 172706467) has the molecular formula C10H8I2N2O2S2Sn and a molecular weight of 624.84 g/mol. Its IUPAC name is diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane.

Molecular Properties

Compound Namediiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane
PubChem CID172706467
Molecular FormulaC10H8I2N2O2S2Sn
Molecular Weight624.84 g/mol
Exact Mass625.71
IUPAC Namediiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane
SMILES[O-][n+]1ccccc1S[Sn](I)(I)Sc1cccc[n+]1[O-]
InChIInChI=1S/2C5H5NOS.2HI.Sn/c2*7-6-4-2-1-3-5(6)8;;;/h2*1-4,8H;2*1H;/q;;;;+4/p-4
InChIKeyDQQPEZKOHAOCPL-UHFFFAOYSA-J
XLogP3.14
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.84
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane?
The IUPAC name of diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane (CID 172706467) is diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane.
What is the SMILES notation for diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane?
The canonical SMILES for diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane is [O-][n+]1ccccc1S[Sn](I)(I)Sc1cccc[n+]1[O-].
What is the InChIKey of diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane?
The InChIKey is DQQPEZKOHAOCPL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C5H5NOS.2HI.Sn/c2*7-6-4-2-1-3-5(6)8;;;/h2*1-4,8H;2*1H;/q;;;;+4/p-4.
What are the key properties of diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane?
diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane has a molecular weight of 624.84 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane is sourced from PubChem (CID 172706467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).