CID 134917346

C17H23AuFeN2S4 — CID 134917346

IUPAC—
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].C[C]1[CH][CH][CH][CH]1.[Au+3].[C-]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C6H7.C5H4.2C3H7NS2.Au.Fe/c1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-4(2)3(5)6;;/h2-5H,1H3;1-4H;2*1-2H3,(H,5,6);;/q;-1;;;+3;/p-2
InChIKeyNNSQLXIRGWZCSM-UHFFFAOYSA-L
MW636.46 g/mol
LogP3.06
Rot. Bonds

About CID 134917346

CID 134917346 (PubChem CID 134917346) has the molecular formula C17H23AuFeN2S4 and a molecular weight of 636.46 g/mol.

Molecular Properties

Compound NameCID 134917346
PubChem CID134917346
Molecular FormulaC17H23AuFeN2S4
Molecular Weight636.46 g/mol
Exact Mass635.98
IUPAC Name—
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].C[C]1[CH][CH][CH][CH]1.[Au+3].[C-]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C6H7.C5H4.2C3H7NS2.Au.Fe/c1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-4(2)3(5)6;;/h2-5H,1H3;1-4H;2*1-2H3,(H,5,6);;/q;-1;;;+3;/p-2
InChIKeyNNSQLXIRGWZCSM-UHFFFAOYSA-L
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134917346?
The IUPAC name of CID 134917346 (CID 134917346) is not available.
What is the SMILES notation for CID 134917346?
The canonical SMILES for CID 134917346 is CN(C)C(=S)[S-].CN(C)C(=S)[S-].C[C]1[CH][CH][CH][CH]1.[Au+3].[C-]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134917346?
The InChIKey is NNSQLXIRGWZCSM-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7.C5H4.2C3H7NS2.Au.Fe/c1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-4(2)3(5)6;;/h2-5H,1H3;1-4H;2*1-2H3,(H,5,6);;/q;-1;;;+3;/p-2.
What are the key properties of CID 134917346?
CID 134917346 has a molecular weight of 636.46 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134917346 is sourced from PubChem (CID 134917346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).