About 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite
2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite (PubChem CID 142833374) has the molecular formula C5H2INS2
and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite.
Molecular Properties
| Compound Name | 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite |
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| PubChem CID | 142833374 |
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| Molecular Formula | C5H2INS2 |
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| Molecular Weight | 267.12 g/mol |
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| Exact Mass | 266.87 |
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| IUPAC Name | 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite |
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| SMILES | ISC#Cc1cscn1 |
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| InChI | InChI=1S/C5H2INS2/c6-9-2-1-5-3-8-4-7-5/h3-4H |
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| InChIKey | UOAOAIDTZMSYDA-UHFFFAOYSA-N |
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| XLogP | 2.54 |
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| TPSA | 12.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 267.12 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
The IUPAC name of 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite (CID 142833374) is 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
The canonical SMILES for 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite is ISC#Cc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
The InChIKey is UOAOAIDTZMSYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2INS2/c6-9-2-1-5-3-8-4-7-5/h3-4H.
What are the key properties of 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite has a molecular weight of 267.12 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite is sourced from PubChem (CID 142833374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).