cyclohexyloxy thiohypoiodite;ethyl formate

C9H17IO3S — CID 167519720

IUPACcyclohexyloxy thiohypoiodite;ethyl formate
SMILESCCOC=O.ISOC1CCCCC1
InChIInChI=1S/C6H11IOS.C3H6O2/c7-9-8-6-4-2-1-3-5-6;1-2-5-3-4/h6H,1-5H2;3H,2H2,1H3
InChIKeyJZHTVMHDGIBATF-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.51
Rot. Bonds4

About cyclohexyloxy thiohypoiodite;ethyl formate

cyclohexyloxy thiohypoiodite;ethyl formate (PubChem CID 167519720) has the molecular formula C9H17IO3S and a molecular weight of 332.20 g/mol. Its IUPAC name is cyclohexyloxy thiohypoiodite;ethyl formate.

Molecular Properties

Compound Namecyclohexyloxy thiohypoiodite;ethyl formate
PubChem CID167519720
Molecular FormulaC9H17IO3S
Molecular Weight332.20 g/mol
Exact Mass331.99
IUPAC Namecyclohexyloxy thiohypoiodite;ethyl formate
SMILESCCOC=O.ISOC1CCCCC1
InChIInChI=1S/C6H11IOS.C3H6O2/c7-9-8-6-4-2-1-3-5-6;1-2-5-3-4/h6H,1-5H2;3H,2H2,1H3
InChIKeyJZHTVMHDGIBATF-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze cyclohexyloxy thiohypoiodite;ethyl formate 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 cyclohexyloxy thiohypoiodite;ethyl formate?
The IUPAC name of cyclohexyloxy thiohypoiodite;ethyl formate (CID 167519720) is cyclohexyloxy thiohypoiodite;ethyl formate.
What is the SMILES notation for cyclohexyloxy thiohypoiodite;ethyl formate?
The canonical SMILES for cyclohexyloxy thiohypoiodite;ethyl formate is CCOC=O.ISOC1CCCCC1.
What is the InChIKey of cyclohexyloxy thiohypoiodite;ethyl formate?
The InChIKey is JZHTVMHDGIBATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IOS.C3H6O2/c7-9-8-6-4-2-1-3-5-6;1-2-5-3-4/h6H,1-5H2;3H,2H2,1H3.
What are the key properties of cyclohexyloxy thiohypoiodite;ethyl formate?
cyclohexyloxy thiohypoiodite;ethyl formate has a molecular weight of 332.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy thiohypoiodite;ethyl formate is sourced from PubChem (CID 167519720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).