silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate

C61H52AgAs3N2S — CID 139159877

IUPACsilver;2-methylpyridine;tris(triphenylarsane);isothiocyanate
SMILESCc1ccccn1.[Ag+].[N-]=C=S.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15As.C6H7N.CNS.Ag/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7-6;2-1-3;/h3*1-15H;2-5H,1H3;;/q;;;;-1;+1
InChIKeyPSIHWRXMVGCDRC-UHFFFAOYSA-N
MW1177.80 g/mol
LogP8.65
Rot. Bonds9

About silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate

silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate (PubChem CID 139159877) has the molecular formula C61H52AgAs3N2S and a molecular weight of 1177.80 g/mol. Its IUPAC name is silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate.

Molecular Properties

Compound Namesilver;2-methylpyridine;tris(triphenylarsane);isothiocyanate
PubChem CID139159877
Molecular FormulaC61H52AgAs3N2S
Molecular Weight1177.80 g/mol
Exact Mass1176.06
IUPAC Namesilver;2-methylpyridine;tris(triphenylarsane);isothiocyanate
SMILESCc1ccccn1.[Ag+].[N-]=C=S.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15As.C6H7N.CNS.Ag/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7-6;2-1-3;/h3*1-15H;2-5H,1H3;;/q;;;;-1;+1
InChIKeyPSIHWRXMVGCDRC-UHFFFAOYSA-N
XLogP8.65
TPSA35.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.80
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpyridine;pyridine
CID 19753594
ethane;2-methylpyridine;toluene
CID 143164268
magnesium;hydride;2-methylpyridine;hydroiodide
CID 174750573
2,2-dimethylpropane;2-methylpyridine
CID 159740552
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
dibromonickel;2-methylpyridine
CID 159872160
cobalt(2+);tetrakis(2-methylpyridine);dithiocyanate
CID 3365117
butane;2-methylpyridine;propane
CID 171077595
CID 158064055
CID 158064055
1,4-dioxane;2-methylpyridine
CID 158048361
2-methylpyridine;2-prop-1-enylpyridine
CID 160724921
2-methylpyridine;2-methylthiophene
CID 142040303

Frequently Asked Questions

What is the IUPAC name of silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate?
The IUPAC name of silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate (CID 139159877) is silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate.
What is the SMILES notation for silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate?
The canonical SMILES for silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate is Cc1ccccn1.[Ag+].[N-]=C=S.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate?
The InChIKey is PSIHWRXMVGCDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15As.C6H7N.CNS.Ag/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7-6;2-1-3;/h3*1-15H;2-5H,1H3;;/q;;;;-1;+1.
What are the key properties of silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate?
silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate has a molecular weight of 1177.80 g/mol, XLogP of 8.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silver;2-methylpyridine;tris(triphenylarsane);isothiocyanate is sourced from PubChem (CID 139159877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).