[(Z)-1-nitro-2-phenylsulfanylethenyl]benzene

C14H11NO2S — CID 12839037

IUPAC[(Z)-1-nitro-2-phenylsulfanylethenyl]benzene
SMILESO=[N+]([O-])/C(=C\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2S/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyGLCRMTDJTRXEGD-KAMYIIQDSA-N
MW257.31 g/mol
LogP4.05
Rot. Bonds4

About [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene

[(Z)-1-nitro-2-phenylsulfanylethenyl]benzene (PubChem CID 12839037) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-nitro-2-phenylsulfanylethenyl]benzene
PubChem CID12839037
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name[(Z)-1-nitro-2-phenylsulfanylethenyl]benzene
SMILESO=[N+]([O-])/C(=C\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2S/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyGLCRMTDJTRXEGD-KAMYIIQDSA-N
XLogP4.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene?
The IUPAC name of [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene (CID 12839037) is [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene.
What is the SMILES notation for [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene?
The canonical SMILES for [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene is O=[N+]([O-])/C(=C\Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene?
The InChIKey is GLCRMTDJTRXEGD-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1-11H/b14-11-.
What are the key properties of [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene?
[(Z)-1-nitro-2-phenylsulfanylethenyl]benzene has a molecular weight of 257.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-nitro-2-phenylsulfanylethenyl]benzene is sourced from PubChem (CID 12839037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).