gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate

C10H9AuOS — CID 59102233

IUPACgold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate
SMILESO=C1CC([S-])Cc2ccccc21.[Au+]
InChIInChI=1S/C10H10OS.Au/c11-10-6-8(12)5-7-3-1-2-4-9(7)10;/h1-4,8,12H,5-6H2;/q;+1/p-1
InChIKeyBSTQVEIVODEPFX-UHFFFAOYSA-M
MW374.22 g/mol
LogP1.73
Rot. Bonds

About gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate

gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate (PubChem CID 59102233) has the molecular formula C10H9AuOS and a molecular weight of 374.22 g/mol. Its IUPAC name is gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate.

Molecular Properties

Compound Namegold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate
PubChem CID59102233
Molecular FormulaC10H9AuOS
Molecular Weight374.22 g/mol
Exact Mass374.00
IUPAC Namegold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate
SMILESO=C1CC([S-])Cc2ccccc21.[Au+]
InChIInChI=1S/C10H10OS.Au/c11-10-6-8(12)5-7-3-1-2-4-9(7)10;/h1-4,8,12H,5-6H2;/q;+1/p-1
InChIKeyBSTQVEIVODEPFX-UHFFFAOYSA-M
XLogP1.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 22074447
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
4b,5,10b,11-tetrahydrochrysene-6,12-dione
CID 11265495
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 10609923
3-methyl-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82885566
3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
CID 85204025
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677837
(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 15416039
(4aS,9aR)-9a,10-dihydro-4aH-anthracen-9-one
CID 7057091

Frequently Asked Questions

What is the IUPAC name of gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate?
The IUPAC name of gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate (CID 59102233) is gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate.
What is the SMILES notation for gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate?
The canonical SMILES for gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate is O=C1CC([S-])Cc2ccccc21.[Au+].
What is the InChIKey of gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate?
The InChIKey is BSTQVEIVODEPFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10OS.Au/c11-10-6-8(12)5-7-3-1-2-4-9(7)10;/h1-4,8,12H,5-6H2;/q;+1/p-1.
What are the key properties of gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate?
gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate has a molecular weight of 374.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate is sourced from PubChem (CID 59102233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).