3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium

C6H5NO2SVW-2 — CID 162450508

IUPAC3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium
SMILESNc1cc[c-]c([S-](=O)=O)c1.[V].[W]
InChIInChI=1S/C6H5NO2S.V.W/c7-5-2-1-3-6(4-5)10(8)9;;/h1-2,4H,7H2;;/q-2;;
InChIKeyOIJGXEGXJIRJFF-UHFFFAOYSA-N
MW389.96 g/mol
LogP0.73
Rot. Bonds1

About 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium

3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium (PubChem CID 162450508) has the molecular formula C6H5NO2SVW-2 and a molecular weight of 389.96 g/mol. Its IUPAC name is 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium.

Molecular Properties

Compound Name3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium
PubChem CID162450508
Molecular FormulaC6H5NO2SVW-2
Molecular Weight389.96 g/mol
Exact Mass389.90
IUPAC Name3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium
SMILESNc1cc[c-]c([S-](=O)=O)c1.[V].[W]
InChIInChI=1S/C6H5NO2S.V.W/c7-5-2-1-3-6(4-5)10(8)9;;/h1-2,4H,7H2;;/q-2;;
InChIKeyOIJGXEGXJIRJFF-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.96
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium?
The IUPAC name of 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium (CID 162450508) is 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium.
What is the SMILES notation for 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium?
The canonical SMILES for 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium is Nc1cc[c-]c([S-](=O)=O)c1.[V].[W].
What is the InChIKey of 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium?
The InChIKey is OIJGXEGXJIRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S.V.W/c7-5-2-1-3-6(4-5)10(8)9;;/h1-2,4H,7H2;;/q-2;;.
What are the key properties of 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium?
3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium has a molecular weight of 389.96 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfinatobenzene-4-id-1-amine;tungsten;vanadium is sourced from PubChem (CID 162450508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).