cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)

C24H26CoN4O2S2 — CID 10369569

IUPACcobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)
SMILESCc1ccc(-c2n[n-]c(=S)o2)c(C(C)C)c1.Cc1ccc(-c2n[n-]c(=S)o2)c(C(C)C)c1.[Co+2]
InChIInChI=1S/2C12H14N2OS.Co/c2*1-7(2)10-6-8(3)4-5-9(10)11-13-14-12(16)15-11;/h2*4-7H,1-3H3,(H,14,16);/q;;+2/p-2
InChIKeyYXLFYFYHOMQZAV-UHFFFAOYSA-L
MW525.57 g/mol
LogP6.92
Rot. Bonds4

About cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)

cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione) (PubChem CID 10369569) has the molecular formula C24H26CoN4O2S2 and a molecular weight of 525.57 g/mol. Its IUPAC name is cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione).

Molecular Properties

Compound Namecobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)
PubChem CID10369569
Molecular FormulaC24H26CoN4O2S2
Molecular Weight525.57 g/mol
Exact Mass525.08
IUPAC Namecobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)
SMILESCc1ccc(-c2n[n-]c(=S)o2)c(C(C)C)c1.Cc1ccc(-c2n[n-]c(=S)o2)c(C(C)C)c1.[Co+2]
InChIInChI=1S/2C12H14N2OS.Co/c2*1-7(2)10-6-8(3)4-5-9(10)11-13-14-12(16)15-11;/h2*4-7H,1-3H3,(H,14,16);/q;;+2/p-2
InChIKeyYXLFYFYHOMQZAV-UHFFFAOYSA-L
XLogP6.92
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)?
The IUPAC name of cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione) (CID 10369569) is cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione).
What is the SMILES notation for cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)?
The canonical SMILES for cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione) is Cc1ccc(-c2n[n-]c(=S)o2)c(C(C)C)c1.Cc1ccc(-c2n[n-]c(=S)o2)c(C(C)C)c1.[Co+2].
What is the InChIKey of cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)?
The InChIKey is YXLFYFYHOMQZAV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H14N2OS.Co/c2*1-7(2)10-6-8(3)4-5-9(10)11-13-14-12(16)15-11;/h2*4-7H,1-3H3,(H,14,16);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione)?
cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione) has a molecular weight of 525.57 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione) is sourced from PubChem (CID 10369569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).