diazido-phenyl-sulfanylidene-λ5-phosphane

C6H5N6PS — CID 102014098

IUPACdiazido-phenyl-sulfanylidene-λ5-phosphane
SMILES[N-]=[N+]=NP(=S)(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C6H5N6PS/c7-9-11-13(14,12-10-8)6-4-2-1-3-5-6/h1-5H
InChIKeyICELUMGZJDVAEF-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.24
Rot. Bonds3

About diazido-phenyl-sulfanylidene-λ5-phosphane

diazido-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 102014098) has the molecular formula C6H5N6PS and a molecular weight of 224.19 g/mol. Its IUPAC name is diazido-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediazido-phenyl-sulfanylidene-λ5-phosphane
PubChem CID102014098
Molecular FormulaC6H5N6PS
Molecular Weight224.19 g/mol
Exact Mass224.00
IUPAC Namediazido-phenyl-sulfanylidene-λ5-phosphane
SMILES[N-]=[N+]=NP(=S)(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C6H5N6PS/c7-9-11-13(14,12-10-8)6-4-2-1-3-5-6/h1-5H
InChIKeyICELUMGZJDVAEF-UHFFFAOYSA-N
XLogP3.24
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazido-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diazido-phenyl-sulfanylidene-λ5-phosphane (CID 102014098) is diazido-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diazido-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diazido-phenyl-sulfanylidene-λ5-phosphane is [N-]=[N+]=NP(=S)(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of diazido-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is ICELUMGZJDVAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N6PS/c7-9-11-13(14,12-10-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of diazido-phenyl-sulfanylidene-λ5-phosphane?
diazido-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 224.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diazido-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102014098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).