silver hexadecane-1-thiolate

C16H33AgS — CID 100970430

IUPACsilver hexadecane-1-thiolate
SMILESCCCCCCCCCCCCCCCC[S-].[Ag+]
InChIInChI=1S/C16H34S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h17H,2-16H2,1H3;/q;+1/p-1
InChIKeyIJOYPZJHGJVNKD-UHFFFAOYSA-M
MW365.38 g/mol
LogP6.01
Rot. Bonds14

About silver hexadecane-1-thiolate

silver hexadecane-1-thiolate (PubChem CID 100970430) has the molecular formula C16H33AgS and a molecular weight of 365.38 g/mol. Its IUPAC name is silver hexadecane-1-thiolate.

Molecular Properties

Compound Namesilver hexadecane-1-thiolate
PubChem CID100970430
Molecular FormulaC16H33AgS
Molecular Weight365.38 g/mol
Exact Mass364.14
IUPAC Namesilver hexadecane-1-thiolate
SMILESCCCCCCCCCCCCCCCC[S-].[Ag+]
InChIInChI=1S/C16H34S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h17H,2-16H2,1H3;/q;+1/p-1
InChIKeyIJOYPZJHGJVNKD-UHFFFAOYSA-M
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 56.01
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

silver octadecane-1-thiolate
CID 22348633
docosane-1-thiolate
CID 102062479
gold(1+);tetradecane-1-thiolate
CID 118692951
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 silver hexadecane-1-thiolate?
The IUPAC name of silver hexadecane-1-thiolate (CID 100970430) is silver hexadecane-1-thiolate.
What is the SMILES notation for silver hexadecane-1-thiolate?
The canonical SMILES for silver hexadecane-1-thiolate is CCCCCCCCCCCCCCCC[S-].[Ag+].
What is the InChIKey of silver hexadecane-1-thiolate?
The InChIKey is IJOYPZJHGJVNKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h17H,2-16H2,1H3;/q;+1/p-1.
What are the key properties of silver hexadecane-1-thiolate?
silver hexadecane-1-thiolate has a molecular weight of 365.38 g/mol, XLogP of 6.01, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for silver hexadecane-1-thiolate is sourced from PubChem (CID 100970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).