gold;bis(propane-1-thiolate)

C6H12Au2S2-4 — CID 58602416

IUPACgold;bis(propane-1-thiolate)
SMILES[Au].[Au].[CH2-]CC[S-].[CH2-]CC[S-]
InChIInChI=1S/2C3H7S.2Au/c2*1-2-3-4;;/h2*4H,1-3H2;;/q2*-1;;/p-2
InChIKeyLFPSVFUAWBNDJU-UHFFFAOYSA-L
MW542.23 g/mol
LogP1.51
Rot. Bonds2

About gold;bis(propane-1-thiolate)

gold;bis(propane-1-thiolate) (PubChem CID 58602416) has the molecular formula C6H12Au2S2-4 and a molecular weight of 542.23 g/mol. Its IUPAC name is gold;bis(propane-1-thiolate).

Molecular Properties

Compound Namegold;bis(propane-1-thiolate)
PubChem CID58602416
Molecular FormulaC6H12Au2S2-4
Molecular Weight542.23 g/mol
Exact Mass541.97
IUPAC Namegold;bis(propane-1-thiolate)
SMILES[Au].[Au].[CH2-]CC[S-].[CH2-]CC[S-]
InChIInChI=1S/2C3H7S.2Au/c2*1-2-3-4;;/h2*4H,1-3H2;;/q2*-1;;/p-2
InChIKeyLFPSVFUAWBNDJU-UHFFFAOYSA-L
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175709904
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hexane;uranium
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2-aminoethanethiolate
CID 14175586
propan-1-amine;yttrium(3+)
CID 20755406
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butane;nickel
CID 57419181
azanide;dichlororuthenium;propane
CID 156682028
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CID 175076623

Frequently Asked Questions

What is the IUPAC name of gold;bis(propane-1-thiolate)?
The IUPAC name of gold;bis(propane-1-thiolate) (CID 58602416) is gold;bis(propane-1-thiolate).
What is the SMILES notation for gold;bis(propane-1-thiolate)?
The canonical SMILES for gold;bis(propane-1-thiolate) is [Au].[Au].[CH2-]CC[S-].[CH2-]CC[S-].
What is the InChIKey of gold;bis(propane-1-thiolate)?
The InChIKey is LFPSVFUAWBNDJU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7S.2Au/c2*1-2-3-4;;/h2*4H,1-3H2;;/q2*-1;;/p-2.
What are the key properties of gold;bis(propane-1-thiolate)?
gold;bis(propane-1-thiolate) has a molecular weight of 542.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;bis(propane-1-thiolate) is sourced from PubChem (CID 58602416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).