[(E)-prop-1-enyl] thiohypoiodite

C3H5IS — CID 21017925

IUPAC[(E)-prop-1-enyl] thiohypoiodite
SMILESC/C=C/SI
InChIInChI=1S/C3H5IS/c1-2-3-5-4/h2-3H,1H3/b3-2+
InChIKeyNDURPISIDIOVSY-NSCUHMNNSA-N
MW200.04 g/mol
LogP2.60
Rot. Bonds1

About [(E)-prop-1-enyl] thiohypoiodite

[(E)-prop-1-enyl] thiohypoiodite (PubChem CID 21017925) has the molecular formula C3H5IS and a molecular weight of 200.04 g/mol. Its IUPAC name is [(E)-prop-1-enyl] thiohypoiodite.

Molecular Properties

Compound Name[(E)-prop-1-enyl] thiohypoiodite
PubChem CID21017925
Molecular FormulaC3H5IS
Molecular Weight200.04 g/mol
Exact Mass199.92
IUPAC Name[(E)-prop-1-enyl] thiohypoiodite
SMILESC/C=C/SI
InChIInChI=1S/C3H5IS/c1-2-3-5-4/h2-3H,1H3/b3-2+
InChIKeyNDURPISIDIOVSY-NSCUHMNNSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-prop-1-enyl] 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 [(E)-prop-1-enyl] thiohypoiodite?
The IUPAC name of [(E)-prop-1-enyl] thiohypoiodite (CID 21017925) is [(E)-prop-1-enyl] thiohypoiodite.
What is the SMILES notation for [(E)-prop-1-enyl] thiohypoiodite?
The canonical SMILES for [(E)-prop-1-enyl] thiohypoiodite is C/C=C/SI.
What is the InChIKey of [(E)-prop-1-enyl] thiohypoiodite?
The InChIKey is NDURPISIDIOVSY-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5IS/c1-2-3-5-4/h2-3H,1H3/b3-2+.
What are the key properties of [(E)-prop-1-enyl] thiohypoiodite?
[(E)-prop-1-enyl] thiohypoiodite has a molecular weight of 200.04 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] thiohypoiodite is sourced from PubChem (CID 21017925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).