phenyliminomethanethiol;vanadium(2+)

C7H5NSV — CID 59952831

IUPACphenyliminomethanethiol;vanadium(2+)
SMILESS/[C-]=N/c1[c-]cccc1.[V+2]
InChIInChI=1S/C7H5NS.V/c9-6-8-7-4-2-1-3-5-7;/h1-4H,(H,8,9);/q-2;+2
InChIKeyLUDJAVALPLAOBW-UHFFFAOYSA-N
MW186.14 g/mol
LogP1.95
Rot. Bonds1

About phenyliminomethanethiol;vanadium(2+)

phenyliminomethanethiol;vanadium(2+) (PubChem CID 59952831) has the molecular formula C7H5NSV and a molecular weight of 186.14 g/mol. Its IUPAC name is phenyliminomethanethiol;vanadium(2+).

Molecular Properties

Compound Namephenyliminomethanethiol;vanadium(2+)
PubChem CID59952831
Molecular FormulaC7H5NSV
Molecular Weight186.14 g/mol
Exact Mass185.96
IUPAC Namephenyliminomethanethiol;vanadium(2+)
SMILESS/[C-]=N/c1[c-]cccc1.[V+2]
InChIInChI=1S/C7H5NS.V/c9-6-8-7-4-2-1-3-5-7;/h1-4H,(H,8,9);/q-2;+2
InChIKeyLUDJAVALPLAOBW-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze phenyliminomethanethiol;vanadium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenyliminomethanethiol;yttrium
CID 59296211
1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)
CID 20670826

Frequently Asked Questions

What is the IUPAC name of phenyliminomethanethiol;vanadium(2+)?
The IUPAC name of phenyliminomethanethiol;vanadium(2+) (CID 59952831) is phenyliminomethanethiol;vanadium(2+).
What is the SMILES notation for phenyliminomethanethiol;vanadium(2+)?
The canonical SMILES for phenyliminomethanethiol;vanadium(2+) is S/[C-]=N/c1[c-]cccc1.[V+2].
What is the InChIKey of phenyliminomethanethiol;vanadium(2+)?
The InChIKey is LUDJAVALPLAOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.V/c9-6-8-7-4-2-1-3-5-7;/h1-4H,(H,8,9);/q-2;+2.
What are the key properties of phenyliminomethanethiol;vanadium(2+)?
phenyliminomethanethiol;vanadium(2+) has a molecular weight of 186.14 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyliminomethanethiol;vanadium(2+) is sourced from PubChem (CID 59952831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).