(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)

C18H22N2O2Sn — CID 101369346

IUPAC(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)
SMILESC.C.Cc1ccc(C(=N\[O-])/C(=N/[O-])c2ccc(C)cc2)cc1.[Sn+2]
InChIInChI=1S/C16H16N2O2.2CH4.Sn/c1-11-3-7-13(8-4-11)15(17-19)16(18-20)14-9-5-12(2)6-10-14;;;/h3-10,19-20H,1-2H3;2*1H4;/q;;;+2/p-2/b17-15+,18-16+;;;
InChIKeySEFOMIJBSQTWQI-LQCCDGOMSA-L
MW417.10 g/mol
LogP4.47
Rot. Bonds3

About (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)

(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+) (PubChem CID 101369346) has the molecular formula C18H22N2O2Sn and a molecular weight of 417.10 g/mol. Its IUPAC name is (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+).

Molecular Properties

Compound Name(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)
PubChem CID101369346
Molecular FormulaC18H22N2O2Sn
Molecular Weight417.10 g/mol
Exact Mass418.07
IUPAC Name(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)
SMILESC.C.Cc1ccc(C(=N\[O-])/C(=N/[O-])c2ccc(C)cc2)cc1.[Sn+2]
InChIInChI=1S/C16H16N2O2.2CH4.Sn/c1-11-3-7-13(8-4-11)15(17-19)16(18-20)14-9-5-12(2)6-10-14;;;/h3-10,19-20H,1-2H3;2*1H4;/q;;;+2/p-2/b17-15+,18-16+;;;
InChIKeySEFOMIJBSQTWQI-LQCCDGOMSA-L
XLogP4.47
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
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potassium 1-(4-methylphenyl)ethenolate
CID 101141531
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
azanium 4-methylbenzoate
CID 67114247
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CID 22604467
gadolinium(3+);tris(4-methylbenzoate)
CID 159199337
sodium 4-methylselenobenzate
CID 23712547
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one
CID 10977676
N-methylmethanamine;1,4-xylene
CID 66760370

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)?
The IUPAC name of (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+) (CID 101369346) is (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+).
What is the SMILES notation for (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)?
The canonical SMILES for (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+) is C.C.Cc1ccc(C(=N\[O-])/C(=N/[O-])c2ccc(C)cc2)cc1.[Sn+2].
What is the InChIKey of (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)?
The InChIKey is SEFOMIJBSQTWQI-LQCCDGOMSA-L. The full InChI is InChI=1S/C16H16N2O2.2CH4.Sn/c1-11-3-7-13(8-4-11)15(17-19)16(18-20)14-9-5-12(2)6-10-14;;;/h3-10,19-20H,1-2H3;2*1H4;/q;;;+2/p-2/b17-15+,18-16+;;;.
What are the key properties of (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)?
(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+) has a molecular weight of 417.10 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+) is sourced from PubChem (CID 101369346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).