gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one

C4H4AuN3OS — CID 174841520

IUPACgold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one
SMILESCc1n[n-]c(=S)[nH]c1=O.[Au+]
InChIInChI=1S/C4H5N3OS.Au/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);/q;+1/p-1
InChIKeyOMIMAVKJMDKWBW-UHFFFAOYSA-M
MW339.13 g/mol
LogP-0.24
Rot. Bonds

About gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one

gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one (PubChem CID 174841520) has the molecular formula C4H4AuN3OS and a molecular weight of 339.13 g/mol. Its IUPAC name is gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one.

Molecular Properties

Compound Namegold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one
PubChem CID174841520
Molecular FormulaC4H4AuN3OS
Molecular Weight339.13 g/mol
Exact Mass338.97
IUPAC Namegold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one
SMILESCc1n[n-]c(=S)[nH]c1=O.[Au+]
InChIInChI=1S/C4H5N3OS.Au/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);/q;+1/p-1
InChIKeyOMIMAVKJMDKWBW-UHFFFAOYSA-M
XLogP-0.24
TPSA59.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one?
The IUPAC name of gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one (CID 174841520) is gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one.
What is the SMILES notation for gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one?
The canonical SMILES for gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one is Cc1n[n-]c(=S)[nH]c1=O.[Au+].
What is the InChIKey of gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one?
The InChIKey is OMIMAVKJMDKWBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N3OS.Au/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);/q;+1/p-1.
What are the key properties of gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one?
gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one has a molecular weight of 339.13 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one is sourced from PubChem (CID 174841520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).