(4-methyl-2-nitrophenyl)selanyl selenocyanate

C8H6N2O2Se2 — CID 131861346

IUPAC(4-methyl-2-nitrophenyl)selanyl selenocyanate
SMILESCc1ccc([Se][Se]C#N)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6N2O2Se2/c1-6-2-3-8(14-13-5-9)7(4-6)10(11)12/h2-4H,1H3
InChIKeyOACXVLKQEYKPIV-UHFFFAOYSA-N
MW320.07 g/mol
LogP0.33
Rot. Bonds3

About (4-methyl-2-nitrophenyl)selanyl selenocyanate

(4-methyl-2-nitrophenyl)selanyl selenocyanate (PubChem CID 131861346) has the molecular formula C8H6N2O2Se2 and a molecular weight of 320.07 g/mol. Its IUPAC name is (4-methyl-2-nitrophenyl)selanyl selenocyanate.

Molecular Properties

Compound Name(4-methyl-2-nitrophenyl)selanyl selenocyanate
PubChem CID131861346
Molecular FormulaC8H6N2O2Se2
Molecular Weight320.07 g/mol
Exact Mass321.88
IUPAC Name(4-methyl-2-nitrophenyl)selanyl selenocyanate
SMILESCc1ccc([Se][Se]C#N)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6N2O2Se2/c1-6-2-3-8(14-13-5-9)7(4-6)10(11)12/h2-4H,1H3
InChIKeyOACXVLKQEYKPIV-UHFFFAOYSA-N
XLogP0.33
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2-nitrobenzene
CID 20849377
2-(4-methyl-2-nitrophenyl)acetonitrile
CID 24729525
4-methyl-2-nitrophenolate
CID 6989903
sodium 4-methyl-2-nitrophenolate
CID 12989561
(4-fluoro-2-nitrophenyl) selenocyanate
CID 140870766
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
2-cyano-2-(4-methyl-2-nitrophenyl)acetic acid
CID 69089750
cyano-(5-methyl-2-nitrophenyl)phosphinic acid
CID 67552975
methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium
CID 91239609
5-(4-methyl-2-nitrophenyl)furan-2-carbonitrile
CID 947560
2-methyl-2-[4-(4-methyl-2-nitrophenyl)piperazin-1-yl]propanenitrile
CID 63344088

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-nitrophenyl)selanyl selenocyanate?
The IUPAC name of (4-methyl-2-nitrophenyl)selanyl selenocyanate (CID 131861346) is (4-methyl-2-nitrophenyl)selanyl selenocyanate.
What is the SMILES notation for (4-methyl-2-nitrophenyl)selanyl selenocyanate?
The canonical SMILES for (4-methyl-2-nitrophenyl)selanyl selenocyanate is Cc1ccc([Se][Se]C#N)c([N+](=O)[O-])c1.
What is the InChIKey of (4-methyl-2-nitrophenyl)selanyl selenocyanate?
The InChIKey is OACXVLKQEYKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2Se2/c1-6-2-3-8(14-13-5-9)7(4-6)10(11)12/h2-4H,1H3.
What are the key properties of (4-methyl-2-nitrophenyl)selanyl selenocyanate?
(4-methyl-2-nitrophenyl)selanyl selenocyanate has a molecular weight of 320.07 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-nitrophenyl)selanyl selenocyanate is sourced from PubChem (CID 131861346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).