cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)

C18H20CoN2O4S2 — CID 6100941

IUPACcobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
SMILESCOc1cccc(NC(=O)C[S-])c1.COc1cccc(NC(=O)C[S-])c1.[Co+2]
InChIInChI=1S/2C9H11NO2S.Co/c2*1-12-8-4-2-3-7(5-8)10-9(11)6-13;/h2*2-5,13H,6H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyLPSZUXGEXYRHGU-UHFFFAOYSA-L
MW451.44 g/mol
LogP2.36
Rot. Bonds6

About cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)

cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate) (PubChem CID 6100941) has the molecular formula C18H20CoN2O4S2 and a molecular weight of 451.44 g/mol. Its IUPAC name is cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate).

Molecular Properties

Compound Namecobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
PubChem CID6100941
Molecular FormulaC18H20CoN2O4S2
Molecular Weight451.44 g/mol
Exact Mass451.02
IUPAC Namecobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
SMILESCOc1cccc(NC(=O)C[S-])c1.COc1cccc(NC(=O)C[S-])c1.[Co+2]
InChIInChI=1S/2C9H11NO2S.Co/c2*1-12-8-4-2-3-7(5-8)10-9(11)6-13;/h2*2-5,13H,6H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyLPSZUXGEXYRHGU-UHFFFAOYSA-L
XLogP2.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
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CID 2785756
N-(3-methoxyphenyl)-3-oxopropanamide;tungsten
CID 155694701
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)?
The IUPAC name of cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate) (CID 6100941) is cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate).
What is the SMILES notation for cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)?
The canonical SMILES for cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate) is COc1cccc(NC(=O)C[S-])c1.COc1cccc(NC(=O)C[S-])c1.[Co+2].
What is the InChIKey of cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)?
The InChIKey is LPSZUXGEXYRHGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H11NO2S.Co/c2*1-12-8-4-2-3-7(5-8)10-9(11)6-13;/h2*2-5,13H,6H2,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)?
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate) has a molecular weight of 451.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate) is sourced from PubChem (CID 6100941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).