nitrobenzene;1,3-thiazole;zinc

C9H8N2O2SZn — CID 175606702

IUPACnitrobenzene;1,3-thiazole;zinc
SMILESO=[N+]([O-])c1ccccc1.[Zn].c1cscn1
InChIInChI=1S/C6H5NO2.C3H3NS.Zn/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1;/h1-5H;1-3H;
InChIKeyMWYZKLDLCCBPAD-UHFFFAOYSA-N
MW273.63 g/mol
LogP2.74
Rot. Bonds1

About nitrobenzene;1,3-thiazole;zinc

nitrobenzene;1,3-thiazole;zinc (PubChem CID 175606702) has the molecular formula C9H8N2O2SZn and a molecular weight of 273.63 g/mol. Its IUPAC name is nitrobenzene;1,3-thiazole;zinc.

Molecular Properties

Compound Namenitrobenzene;1,3-thiazole;zinc
PubChem CID175606702
Molecular FormulaC9H8N2O2SZn
Molecular Weight273.63 g/mol
Exact Mass271.96
IUPAC Namenitrobenzene;1,3-thiazole;zinc
SMILESO=[N+]([O-])c1ccccc1.[Zn].c1cscn1
InChIInChI=1S/C6H5NO2.C3H3NS.Zn/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1;/h1-5H;1-3H;
InChIKeyMWYZKLDLCCBPAD-UHFFFAOYSA-N
XLogP2.74
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of nitrobenzene;1,3-thiazole;zinc?
The IUPAC name of nitrobenzene;1,3-thiazole;zinc (CID 175606702) is nitrobenzene;1,3-thiazole;zinc.
What is the SMILES notation for nitrobenzene;1,3-thiazole;zinc?
The canonical SMILES for nitrobenzene;1,3-thiazole;zinc is O=[N+]([O-])c1ccccc1.[Zn].c1cscn1.
What is the InChIKey of nitrobenzene;1,3-thiazole;zinc?
The InChIKey is MWYZKLDLCCBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C3H3NS.Zn/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1;/h1-5H;1-3H;.
What are the key properties of nitrobenzene;1,3-thiazole;zinc?
nitrobenzene;1,3-thiazole;zinc has a molecular weight of 273.63 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrobenzene;1,3-thiazole;zinc is sourced from PubChem (CID 175606702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).