gold;3-sulfanylcyclohexan-1-one

C6H10AuOS — CID 87506976

IUPACgold;3-sulfanylcyclohexan-1-one
SMILESO=C1CCCC(S)C1.[Au]
InChIInChI=1S/C6H10OS.Au/c7-5-2-1-3-6(8)4-5;/h6,8H,1-4H2;
InChIKeyOXLRYPJWLGWHHR-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.43
Rot. Bonds

About gold;3-sulfanylcyclohexan-1-one

gold;3-sulfanylcyclohexan-1-one (PubChem CID 87506976) has the molecular formula C6H10AuOS and a molecular weight of 327.18 g/mol. Its IUPAC name is gold;3-sulfanylcyclohexan-1-one.

Molecular Properties

Compound Namegold;3-sulfanylcyclohexan-1-one
PubChem CID87506976
Molecular FormulaC6H10AuOS
Molecular Weight327.18 g/mol
Exact Mass327.01
IUPAC Namegold;3-sulfanylcyclohexan-1-one
SMILESO=C1CCCC(S)C1.[Au]
InChIInChI=1S/C6H10OS.Au/c7-5-2-1-3-6(8)4-5;/h6,8H,1-4H2;
InChIKeyOXLRYPJWLGWHHR-UHFFFAOYSA-N
XLogP1.43
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold;3-sulfanylcyclohexan-1-one?
The IUPAC name of gold;3-sulfanylcyclohexan-1-one (CID 87506976) is gold;3-sulfanylcyclohexan-1-one.
What is the SMILES notation for gold;3-sulfanylcyclohexan-1-one?
The canonical SMILES for gold;3-sulfanylcyclohexan-1-one is O=C1CCCC(S)C1.[Au].
What is the InChIKey of gold;3-sulfanylcyclohexan-1-one?
The InChIKey is OXLRYPJWLGWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS.Au/c7-5-2-1-3-6(8)4-5;/h6,8H,1-4H2;.
What are the key properties of gold;3-sulfanylcyclohexan-1-one?
gold;3-sulfanylcyclohexan-1-one has a molecular weight of 327.18 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;3-sulfanylcyclohexan-1-one is sourced from PubChem (CID 87506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).