bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)

C26H16N8PtS6 — CID 140616809

IUPACbis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)
SMILESS=c1n(-c2cccnc2)c([S-])c([S-])n1-c1cccnc1.S=c1n(-c2cccnc2)c([S-])c([S-])n1-c1cccnc1.[Pt+4]
InChIInChI=1S/2C13H10N4S3.Pt/c2*18-11-12(19)17(10-4-2-6-15-8-10)13(20)16(11)9-3-1-5-14-7-9;/h2*1-8,18-19H;/q;;+4/p-4
InChIKeyJYFSLRYXDYVZJP-UHFFFAOYSA-J
MW827.95 g/mol
LogP5.20
Rot. Bonds4

About bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)

bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+) (PubChem CID 140616809) has the molecular formula C26H16N8PtS6 and a molecular weight of 827.95 g/mol. Its IUPAC name is bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+).

Molecular Properties

Compound Namebis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)
PubChem CID140616809
Molecular FormulaC26H16N8PtS6
Molecular Weight827.95 g/mol
Exact Mass826.95
IUPAC Namebis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)
SMILESS=c1n(-c2cccnc2)c([S-])c([S-])n1-c1cccnc1.S=c1n(-c2cccnc2)c([S-])c([S-])n1-c1cccnc1.[Pt+4]
InChIInChI=1S/2C13H10N4S3.Pt/c2*18-11-12(19)17(10-4-2-6-15-8-10)13(20)16(11)9-3-1-5-14-7-9;/h2*1-8,18-19H;/q;;+4/p-4
InChIKeyJYFSLRYXDYVZJP-UHFFFAOYSA-J
XLogP5.20
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.95
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)?
The IUPAC name of bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+) (CID 140616809) is bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+).
What is the SMILES notation for bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)?
The canonical SMILES for bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+) is S=c1n(-c2cccnc2)c([S-])c([S-])n1-c1cccnc1.S=c1n(-c2cccnc2)c([S-])c([S-])n1-c1cccnc1.[Pt+4].
What is the InChIKey of bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)?
The InChIKey is JYFSLRYXDYVZJP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H10N4S3.Pt/c2*18-11-12(19)17(10-4-2-6-15-8-10)13(20)16(11)9-3-1-5-14-7-9;/h2*1-8,18-19H;/q;;+4/p-4.
What are the key properties of bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)?
bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+) has a molecular weight of 827.95 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+) is sourced from PubChem (CID 140616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).