carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium

C13H9ClN2SY-2 — CID 58622628

IUPACcarbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium
SMILESClc1nncc2s[c-]c(-c3ccccc3)c12.[CH3-].[Y]
InChIInChI=1S/C12H6ClN2S.CH3.Y/c13-12-11-9(8-4-2-1-3-5-8)7-16-10(11)6-14-15-12;;/h1-6H;1H3;/q2*-1;
InChIKeyGVASGARDDGWEPB-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.26
Rot. Bonds1

About carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium

carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium (PubChem CID 58622628) has the molecular formula C13H9ClN2SY-2 and a molecular weight of 349.66 g/mol. Its IUPAC name is carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium.

Molecular Properties

Compound Namecarbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium
PubChem CID58622628
Molecular FormulaC13H9ClN2SY-2
Molecular Weight349.66 g/mol
Exact Mass348.92
IUPAC Namecarbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium
SMILESClc1nncc2s[c-]c(-c3ccccc3)c12.[CH3-].[Y]
InChIInChI=1S/C12H6ClN2S.CH3.Y/c13-12-11-9(8-4-2-1-3-5-8)7-16-10(11)6-14-15-12;;/h1-6H;1H3;/q2*-1;
InChIKeyGVASGARDDGWEPB-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium?
The IUPAC name of carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium (CID 58622628) is carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium.
What is the SMILES notation for carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium?
The canonical SMILES for carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium is Clc1nncc2s[c-]c(-c3ccccc3)c12.[CH3-].[Y].
What is the InChIKey of carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium?
The InChIKey is GVASGARDDGWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN2S.CH3.Y/c13-12-11-9(8-4-2-1-3-5-8)7-16-10(11)6-14-15-12;;/h1-6H;1H3;/q2*-1;.
What are the key properties of carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium?
carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium has a molecular weight of 349.66 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-chloro-3-phenyl-2H-thieno[2,3-d]pyridazin-2-ide;yttrium is sourced from PubChem (CID 58622628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).