N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine

C2H3N9S — CID 88886076

IUPACN-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine
SMILESC/N=N/N=N/N=N/N=N/N=C=S
InChIInChI=1S/C2H3N9S/c1-3-5-7-9-11-10-8-6-4-2-12/h1H3/b5-3+,8-6+,9-7+,11-10+
InChIKeyQHEZEICVZWEVLQ-RKVSEVMMSA-N
MW185.18 g/mol
LogP2.19
Rot. Bonds4

About N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine

N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine (PubChem CID 88886076) has the molecular formula C2H3N9S and a molecular weight of 185.18 g/mol. Its IUPAC name is N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine.

Molecular Properties

Compound NameN-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine
PubChem CID88886076
Molecular FormulaC2H3N9S
Molecular Weight185.18 g/mol
Exact Mass185.02
IUPAC NameN-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine
SMILESC/N=N/N=N/N=N/N=N/N=C=S
InChIInChI=1S/C2H3N9S/c1-3-5-7-9-11-10-8-6-4-2-12/h1H3/b5-3+,8-6+,9-7+,11-10+
InChIKeyQHEZEICVZWEVLQ-RKVSEVMMSA-N
XLogP2.19
TPSA111.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 52.19
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-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine?
The IUPAC name of N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine (CID 88886076) is N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine.
What is the SMILES notation for N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine?
The canonical SMILES for N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine is C/N=N/N=N/N=N/N=N/N=C=S.
What is the InChIKey of N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine?
The InChIKey is QHEZEICVZWEVLQ-RKVSEVMMSA-N. The full InChI is InChI=1S/C2H3N9S/c1-3-5-7-9-11-10-8-6-4-2-12/h1H3/b5-3+,8-6+,9-7+,11-10+.
What are the key properties of N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine?
N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine has a molecular weight of 185.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-[(E)-(methyldiazenyl)diazenyl]diazenyl]diazenyl]-1-sulfanylidenemethanimine is sourced from PubChem (CID 88886076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).