phenyliminomethanethiol;yttrium

C7H5NSY-2 — CID 59296211

IUPACphenyliminomethanethiol;yttrium
SMILESS/[C-]=N/c1[c-]cccc1.[Y]
InChIInChI=1S/C7H5NS.Y/c9-6-8-7-4-2-1-3-5-7;/h1-4H,(H,8,9);/q-2;
InChIKeyJCFKLYLTCUHECH-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.95
Rot. Bonds1

About phenyliminomethanethiol;yttrium

phenyliminomethanethiol;yttrium (PubChem CID 59296211) has the molecular formula C7H5NSY-2 and a molecular weight of 224.10 g/mol. Its IUPAC name is phenyliminomethanethiol;yttrium.

Molecular Properties

Compound Namephenyliminomethanethiol;yttrium
PubChem CID59296211
Molecular FormulaC7H5NSY-2
Molecular Weight224.10 g/mol
Exact Mass223.92
IUPAC Namephenyliminomethanethiol;yttrium
SMILESS/[C-]=N/c1[c-]cccc1.[Y]
InChIInChI=1S/C7H5NS.Y/c9-6-8-7-4-2-1-3-5-7;/h1-4H,(H,8,9);/q-2;
InChIKeyJCFKLYLTCUHECH-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 ≤ 500224.10
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'}

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Related Compounds

Phenyliminomethanethiol;vanadium(2+)
CID 59952831

Frequently Asked Questions

What is the IUPAC name of phenyliminomethanethiol;yttrium?
The IUPAC name of phenyliminomethanethiol;yttrium (CID 59296211) is phenyliminomethanethiol;yttrium.
What is the SMILES notation for phenyliminomethanethiol;yttrium?
The canonical SMILES for phenyliminomethanethiol;yttrium is S/[C-]=N/c1[c-]cccc1.[Y].
What is the InChIKey of phenyliminomethanethiol;yttrium?
The InChIKey is JCFKLYLTCUHECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.Y/c9-6-8-7-4-2-1-3-5-7;/h1-4H,(H,8,9);/q-2;.
What are the key properties of phenyliminomethanethiol;yttrium?
phenyliminomethanethiol;yttrium has a molecular weight of 224.10 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;yttrium is sourced from PubChem (CID 59296211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).