gold;pentane-1-sulfonic acid

C5H12AuO3S — CID 174800543

IUPACgold;pentane-1-sulfonic acid
SMILESCCCCCS(=O)(=O)O.[Au]
InChIInChI=1S/C5H12O3S.Au/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);
InChIKeyUHQLZHKBRHMOMZ-UHFFFAOYSA-N
MW349.18 g/mol
LogP1.06
Rot. Bonds4

About gold;pentane-1-sulfonic acid

gold;pentane-1-sulfonic acid (PubChem CID 174800543) has the molecular formula C5H12AuO3S and a molecular weight of 349.18 g/mol. Its IUPAC name is gold;pentane-1-sulfonic acid.

Molecular Properties

Compound Namegold;pentane-1-sulfonic acid
PubChem CID174800543
Molecular FormulaC5H12AuO3S
Molecular Weight349.18 g/mol
Exact Mass349.02
IUPAC Namegold;pentane-1-sulfonic acid
SMILESCCCCCS(=O)(=O)O.[Au]
InChIInChI=1S/C5H12O3S.Au/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);
InChIKeyUHQLZHKBRHMOMZ-UHFFFAOYSA-N
XLogP1.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

decane-1-sulfonic acid
CID 157391186
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
methanamine;pentane-1-sulfonic acid
CID 87578509
azane;octadecane-1-sulfonic acid
CID 173437409
magnesium;hydride;pentane-1-sulfonic acid
CID 174919972
CID 87263567
CID 87263567
copper;dodecane-1-sulfonic acid
CID 87837218
magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
CID 87447190
CID 87447190
magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
potassium;hexane-1-sulfonic acid;hydride
CID 173172538

Frequently Asked Questions

What is the IUPAC name of gold;pentane-1-sulfonic acid?
The IUPAC name of gold;pentane-1-sulfonic acid (CID 174800543) is gold;pentane-1-sulfonic acid.
What is the SMILES notation for gold;pentane-1-sulfonic acid?
The canonical SMILES for gold;pentane-1-sulfonic acid is CCCCCS(=O)(=O)O.[Au].
What is the InChIKey of gold;pentane-1-sulfonic acid?
The InChIKey is UHQLZHKBRHMOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S.Au/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);.
What are the key properties of gold;pentane-1-sulfonic acid?
gold;pentane-1-sulfonic acid has a molecular weight of 349.18 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;pentane-1-sulfonic acid is sourced from PubChem (CID 174800543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).