gold(1+);tetradecane-1-thiolate

C14H29AuS — CID 118692951

IUPACgold(1+);tetradecane-1-thiolate
SMILESCCCCCCCCCCCCCC[S-].[Au+]
InChIInChI=1S/C14H30S.Au/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h15H,2-14H2,1H3;/q;+1/p-1
InChIKeyGCYVIRZMVSRTMU-UHFFFAOYSA-M
MW426.42 g/mol
LogP5.23
Rot. Bonds12

About gold(1+);tetradecane-1-thiolate

gold(1+);tetradecane-1-thiolate (PubChem CID 118692951) has the molecular formula C14H29AuS and a molecular weight of 426.42 g/mol. Its IUPAC name is gold(1+);tetradecane-1-thiolate.

Molecular Properties

Compound Namegold(1+);tetradecane-1-thiolate
PubChem CID118692951
Molecular FormulaC14H29AuS
Molecular Weight426.42 g/mol
Exact Mass426.17
IUPAC Namegold(1+);tetradecane-1-thiolate
SMILESCCCCCCCCCCCCCC[S-].[Au+]
InChIInChI=1S/C14H30S.Au/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h15H,2-14H2,1H3;/q;+1/p-1
InChIKeyGCYVIRZMVSRTMU-UHFFFAOYSA-M
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
silver octadecane-1-thiolate
CID 22348633
CID 173438464
CID 173438464
hexane-1-thiolate;titanium(4+)
CID 172788894
potassium octane-1-thiolate
CID 23682502
manganese(2+);bis(octane-1-thiolate)
CID 88657665
bis(decane-1-thiolate);dimethyltin(2+)
CID 21453567
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
CID 134927802
CID 134927802
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027

Frequently Asked Questions

What is the IUPAC name of gold(1+);tetradecane-1-thiolate?
The IUPAC name of gold(1+);tetradecane-1-thiolate (CID 118692951) is gold(1+);tetradecane-1-thiolate.
What is the SMILES notation for gold(1+);tetradecane-1-thiolate?
The canonical SMILES for gold(1+);tetradecane-1-thiolate is CCCCCCCCCCCCCC[S-].[Au+].
What is the InChIKey of gold(1+);tetradecane-1-thiolate?
The InChIKey is GCYVIRZMVSRTMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30S.Au/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h15H,2-14H2,1H3;/q;+1/p-1.
What are the key properties of gold(1+);tetradecane-1-thiolate?
gold(1+);tetradecane-1-thiolate has a molecular weight of 426.42 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);tetradecane-1-thiolate is sourced from PubChem (CID 118692951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).