silver octadecane-1-thiolate

C18H37AgS — CID 22348633

IUPACsilver octadecane-1-thiolate
SMILESCCCCCCCCCCCCCCCCCC[S-].[Ag+]
InChIInChI=1S/C18H38S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h19H,2-18H2,1H3;/q;+1/p-1
InChIKeyIMHPQVGSRVATAP-UHFFFAOYSA-M
MW393.43 g/mol
LogP6.79
Rot. Bonds16

About silver octadecane-1-thiolate

silver octadecane-1-thiolate (PubChem CID 22348633) has the molecular formula C18H37AgS and a molecular weight of 393.43 g/mol. Its IUPAC name is silver octadecane-1-thiolate.

Molecular Properties

Compound Namesilver octadecane-1-thiolate
PubChem CID22348633
Molecular FormulaC18H37AgS
Molecular Weight393.43 g/mol
Exact Mass392.17
IUPAC Namesilver octadecane-1-thiolate
SMILESCCCCCCCCCCCCCCCCCC[S-].[Ag+]
InChIInChI=1S/C18H38S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h19H,2-18H2,1H3;/q;+1/p-1
InChIKeyIMHPQVGSRVATAP-UHFFFAOYSA-M
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 56.79
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 hexadecane-1-thiolate
CID 100970430
docosane-1-thiolate
CID 102062479
CID 173438464
CID 173438464
hexane-1-thiolate;titanium(4+)
CID 172788894
potassium octane-1-thiolate
CID 23682502
gold(1+);tetradecane-1-thiolate
CID 118692951
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 octadecane-1-thiolate?
The IUPAC name of silver octadecane-1-thiolate (CID 22348633) is silver octadecane-1-thiolate.
What is the SMILES notation for silver octadecane-1-thiolate?
The canonical SMILES for silver octadecane-1-thiolate is CCCCCCCCCCCCCCCCCC[S-].[Ag+].
What is the InChIKey of silver octadecane-1-thiolate?
The InChIKey is IMHPQVGSRVATAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H38S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h19H,2-18H2,1H3;/q;+1/p-1.
What are the key properties of silver octadecane-1-thiolate?
silver octadecane-1-thiolate has a molecular weight of 393.43 g/mol, XLogP of 6.79, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for silver octadecane-1-thiolate is sourced from PubChem (CID 22348633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).