3,4-dihydro-2H-pyran-5-yl thiohypoiodite

C5H7IOS — CID 144903823

IUPAC3,4-dihydro-2H-pyran-5-yl thiohypoiodite
SMILESISC1=COCCC1
InChIInChI=1S/C5H7IOS/c6-8-5-2-1-3-7-4-5/h4H,1-3H2
InChIKeyNUFNQINGFHMHSN-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.72
Rot. Bonds1

About 3,4-dihydro-2H-pyran-5-yl thiohypoiodite

3,4-dihydro-2H-pyran-5-yl thiohypoiodite (PubChem CID 144903823) has the molecular formula C5H7IOS and a molecular weight of 242.08 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl thiohypoiodite.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl thiohypoiodite
PubChem CID144903823
Molecular FormulaC5H7IOS
Molecular Weight242.08 g/mol
Exact Mass241.93
IUPAC Name3,4-dihydro-2H-pyran-5-yl thiohypoiodite
SMILESISC1=COCCC1
InChIInChI=1S/C5H7IOS/c6-8-5-2-1-3-7-4-5/h4H,1-3H2
InChIKeyNUFNQINGFHMHSN-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl thiohypoiodite?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl thiohypoiodite (CID 144903823) is 3,4-dihydro-2H-pyran-5-yl thiohypoiodite.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl thiohypoiodite?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl thiohypoiodite is ISC1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl thiohypoiodite?
The InChIKey is NUFNQINGFHMHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IOS/c6-8-5-2-1-3-7-4-5/h4H,1-3H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl thiohypoiodite?
3,4-dihydro-2H-pyran-5-yl thiohypoiodite has a molecular weight of 242.08 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl thiohypoiodite is sourced from PubChem (CID 144903823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).