platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid

C16H11N2O2PtS3- — CID 58709005

IUPACplatinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid
SMILESO=S(O)c1cccc(Sc2[c-]c(Sc3ccccn3)ccc2)n1.[Pt]
InChIInChI=1S/C16H11N2O2S3.Pt/c19-23(20)16-9-4-8-15(18-16)22-13-6-3-5-12(11-13)21-14-7-1-2-10-17-14;/h1-10H,(H,19,20);/q-1;
InChIKeyUTQWGMAWPMDTSV-UHFFFAOYSA-N
MW554.56 g/mol
LogP4.16
Rot. Bonds5

About platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid

platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid (PubChem CID 58709005) has the molecular formula C16H11N2O2PtS3- and a molecular weight of 554.56 g/mol. Its IUPAC name is platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid.

Molecular Properties

Compound Nameplatinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid
PubChem CID58709005
Molecular FormulaC16H11N2O2PtS3-
Molecular Weight554.56 g/mol
Exact Mass553.96
IUPAC Nameplatinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid
SMILESO=S(O)c1cccc(Sc2[c-]c(Sc3ccccn3)ccc2)n1.[Pt]
InChIInChI=1S/C16H11N2O2S3.Pt/c19-23(20)16-9-4-8-15(18-16)22-13-6-3-5-12(11-13)21-14-7-1-2-10-17-14;/h1-10H,(H,19,20);/q-1;
InChIKeyUTQWGMAWPMDTSV-UHFFFAOYSA-N
XLogP4.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

platinum;2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-2-pyridinyl]phenol
CID 153304165
platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
CID 153280573
platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
CID 153280473
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
3,4-bis(pyridin-2-ylsulfanyl)pyrrole-2,5-dione
CID 66927458
1,5-naphthyridine-2-sulfinic acid
CID 67246357
2-hydroxysulfanylpyridine
CID 12046445
2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
CID 58871037
S-pyridin-2-yl pyridine-2-carbothioate
CID 121216656
2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
CID 153280455
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
CID 78951870
2-cyclohexa-1,3-dien-1-ylsulfanylpyridine
CID 21467889

Frequently Asked Questions

What is the IUPAC name of platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid?
The IUPAC name of platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid (CID 58709005) is platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid.
What is the SMILES notation for platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid?
The canonical SMILES for platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid is O=S(O)c1cccc(Sc2[c-]c(Sc3ccccn3)ccc2)n1.[Pt].
What is the InChIKey of platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid?
The InChIKey is UTQWGMAWPMDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2O2S3.Pt/c19-23(20)16-9-4-8-15(18-16)22-13-6-3-5-12(11-13)21-14-7-1-2-10-17-14;/h1-10H,(H,19,20);/q-1;.
What are the key properties of platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid?
platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid has a molecular weight of 554.56 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid is sourced from PubChem (CID 58709005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).