N-phenyldiazenyl-1-sulfanylidenemethanimine

C7H5N3S — CID 174830889

IUPACN-phenyldiazenyl-1-sulfanylidenemethanimine
SMILESS=C=N/N=N/c1ccccc1
InChIInChI=1S/C7H5N3S/c11-6-8-10-9-7-4-2-1-3-5-7/h1-5H/b10-9+
InChIKeyNPADIKAECYYGAO-MDZDMXLPSA-N
MW163.20 g/mol
LogP2.79
Rot. Bonds2

About N-phenyldiazenyl-1-sulfanylidenemethanimine

N-phenyldiazenyl-1-sulfanylidenemethanimine (PubChem CID 174830889) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is N-phenyldiazenyl-1-sulfanylidenemethanimine.

Molecular Properties

Compound NameN-phenyldiazenyl-1-sulfanylidenemethanimine
PubChem CID174830889
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC NameN-phenyldiazenyl-1-sulfanylidenemethanimine
SMILESS=C=N/N=N/c1ccccc1
InChIInChI=1S/C7H5N3S/c11-6-8-10-9-7-4-2-1-3-5-7/h1-5H/b10-9+
InChIKeyNPADIKAECYYGAO-MDZDMXLPSA-N
XLogP2.79
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyldiazenyl-1-sulfanylidenemethanimine?
The IUPAC name of N-phenyldiazenyl-1-sulfanylidenemethanimine (CID 174830889) is N-phenyldiazenyl-1-sulfanylidenemethanimine.
What is the SMILES notation for N-phenyldiazenyl-1-sulfanylidenemethanimine?
The canonical SMILES for N-phenyldiazenyl-1-sulfanylidenemethanimine is S=C=N/N=N/c1ccccc1.
What is the InChIKey of N-phenyldiazenyl-1-sulfanylidenemethanimine?
The InChIKey is NPADIKAECYYGAO-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H5N3S/c11-6-8-10-9-7-4-2-1-3-5-7/h1-5H/b10-9+.
What are the key properties of N-phenyldiazenyl-1-sulfanylidenemethanimine?
N-phenyldiazenyl-1-sulfanylidenemethanimine has a molecular weight of 163.20 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyldiazenyl-1-sulfanylidenemethanimine is sourced from PubChem (CID 174830889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).