1-iodoiminothiolane 1-oxide

C4H8INOS — CID 126488994

IUPAC1-iodoiminothiolane 1-oxide
SMILESO=S1(=NI)CCCC1
InChIInChI=1S/C4H8INOS/c5-6-8(7)3-1-2-4-8/h1-4H2
InChIKeyHXAMGGADNHFBDW-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.60
Rot. Bonds

About 1-iodoiminothiolane 1-oxide

1-iodoiminothiolane 1-oxide (PubChem CID 126488994) has the molecular formula C4H8INOS and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-iodoiminothiolane 1-oxide.

Molecular Properties

Compound Name1-iodoiminothiolane 1-oxide
PubChem CID126488994
Molecular FormulaC4H8INOS
Molecular Weight245.08 g/mol
Exact Mass244.94
IUPAC Name1-iodoiminothiolane 1-oxide
SMILESO=S1(=NI)CCCC1
InChIInChI=1S/C4H8INOS/c5-6-8(7)3-1-2-4-8/h1-4H2
InChIKeyHXAMGGADNHFBDW-UHFFFAOYSA-N
XLogP1.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.60
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 1-iodoiminothiolane 1-oxide?
The IUPAC name of 1-iodoiminothiolane 1-oxide (CID 126488994) is 1-iodoiminothiolane 1-oxide.
What is the SMILES notation for 1-iodoiminothiolane 1-oxide?
The canonical SMILES for 1-iodoiminothiolane 1-oxide is O=S1(=NI)CCCC1.
What is the InChIKey of 1-iodoiminothiolane 1-oxide?
The InChIKey is HXAMGGADNHFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INOS/c5-6-8(7)3-1-2-4-8/h1-4H2.
What are the key properties of 1-iodoiminothiolane 1-oxide?
1-iodoiminothiolane 1-oxide has a molecular weight of 245.08 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoiminothiolane 1-oxide is sourced from PubChem (CID 126488994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).