[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite

C12H15IN2OS — CID 142308117

IUPAC[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
SMILESOc1ccc(C2CCC(=NNSI)CC2)cc1
InChIInChI=1S/C12H15IN2OS/c13-17-15-14-11-5-1-9(2-6-11)10-3-7-12(16)8-4-10/h3-4,7-9,15-16H,1-2,5-6H2/b14-11-
InChIKeyFAFQPPBZWSWKJT-KAMYIIQDSA-N
MW362.24 g/mol
LogP3.99
Rot. Bonds3

About [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite

[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite (PubChem CID 142308117) has the molecular formula C12H15IN2OS and a molecular weight of 362.24 g/mol. Its IUPAC name is [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite.

Molecular Properties

Compound Name[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
PubChem CID142308117
Molecular FormulaC12H15IN2OS
Molecular Weight362.24 g/mol
Exact Mass361.99
IUPAC Name[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
SMILESOc1ccc(C2CCC(=NNSI)CC2)cc1
InChIInChI=1S/C12H15IN2OS/c13-17-15-14-11-5-1-9(2-6-11)10-3-7-12(16)8-4-10/h3-4,7-9,15-16H,1-2,5-6H2/b14-11-
InChIKeyFAFQPPBZWSWKJT-KAMYIIQDSA-N
XLogP3.99
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite 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 [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
The IUPAC name of [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite (CID 142308117) is [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite.
What is the SMILES notation for [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
The canonical SMILES for [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite is Oc1ccc(C2CCC(=NNSI)CC2)cc1.
What is the InChIKey of [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
The InChIKey is FAFQPPBZWSWKJT-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H15IN2OS/c13-17-15-14-11-5-1-9(2-6-11)10-3-7-12(16)8-4-10/h3-4,7-9,15-16H,1-2,5-6H2/b14-11-.
What are the key properties of [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite has a molecular weight of 362.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite is sourced from PubChem (CID 142308117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).