nitrobenzene;1,2-thiazole

C9H8N2O2S — CID 162228510

IUPACnitrobenzene;1,2-thiazole
SMILESO=[N+]([O-])c1ccccc1.c1cnsc1
InChIInChI=1S/C6H5NO2.C3H3NS/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H
InChIKeyZVCADMKDLDUPIX-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.74
Rot. Bonds1

About nitrobenzene;1,2-thiazole

nitrobenzene;1,2-thiazole (PubChem CID 162228510) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is nitrobenzene;1,2-thiazole.

Molecular Properties

Compound Namenitrobenzene;1,2-thiazole
PubChem CID162228510
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Namenitrobenzene;1,2-thiazole
SMILESO=[N+]([O-])c1ccccc1.c1cnsc1
InChIInChI=1S/C6H5NO2.C3H3NS/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H
InChIKeyZVCADMKDLDUPIX-UHFFFAOYSA-N
XLogP2.74
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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;1,2-thiazole?
The IUPAC name of nitrobenzene;1,2-thiazole (CID 162228510) is nitrobenzene;1,2-thiazole.
What is the SMILES notation for nitrobenzene;1,2-thiazole?
The canonical SMILES for nitrobenzene;1,2-thiazole is O=[N+]([O-])c1ccccc1.c1cnsc1.
What is the InChIKey of nitrobenzene;1,2-thiazole?
The InChIKey is ZVCADMKDLDUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C3H3NS/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H.
What are the key properties of nitrobenzene;1,2-thiazole?
nitrobenzene;1,2-thiazole has a molecular weight of 208.24 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;1,2-thiazole is sourced from PubChem (CID 162228510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).