benzenethiolate;gold(1+);triphenylphosphanium

C24H21AuPS+ — CID 59718190

IUPACbenzenethiolate;gold(1+);triphenylphosphanium
SMILES[Au+].[S-]c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H6S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;/h1-15H;1-5,7H;/q;;+1
InChIKeyUTIIDUGXLMYYKQ-UHFFFAOYSA-N
MW569.44 g/mol
LogP4.77
Rot. Bonds3

About benzenethiolate;gold(1+);triphenylphosphanium

benzenethiolate;gold(1+);triphenylphosphanium (PubChem CID 59718190) has the molecular formula C24H21AuPS+ and a molecular weight of 569.44 g/mol. Its IUPAC name is benzenethiolate;gold(1+);triphenylphosphanium.

Molecular Properties

Compound Namebenzenethiolate;gold(1+);triphenylphosphanium
PubChem CID59718190
Molecular FormulaC24H21AuPS+
Molecular Weight569.44 g/mol
Exact Mass569.08
IUPAC Namebenzenethiolate;gold(1+);triphenylphosphanium
SMILES[Au+].[S-]c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H6S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;/h1-15H;1-5,7H;/q;;+1
InChIKeyUTIIDUGXLMYYKQ-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
benzenethiolate;titanium(4+)
CID 162211786
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
carbanide;nickel;triphenylphosphanium
CID 87436309
CID 6394239
CID 6394239
formaldehyde;ruthenium;tris(triphenylphosphanium)
CID 22165433
CID 6327535
CID 6327535
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
dioxopalladium;triphenylphosphanium
CID 174842290
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321

Frequently Asked Questions

What is the IUPAC name of benzenethiolate;gold(1+);triphenylphosphanium?
The IUPAC name of benzenethiolate;gold(1+);triphenylphosphanium (CID 59718190) is benzenethiolate;gold(1+);triphenylphosphanium.
What is the SMILES notation for benzenethiolate;gold(1+);triphenylphosphanium?
The canonical SMILES for benzenethiolate;gold(1+);triphenylphosphanium is [Au+].[S-]c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzenethiolate;gold(1+);triphenylphosphanium?
The InChIKey is UTIIDUGXLMYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C6H6S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;/h1-15H;1-5,7H;/q;;+1.
What are the key properties of benzenethiolate;gold(1+);triphenylphosphanium?
benzenethiolate;gold(1+);triphenylphosphanium has a molecular weight of 569.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiolate;gold(1+);triphenylphosphanium is sourced from PubChem (CID 59718190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).