2-sulfanylidene-1,2-oxazolidin-2-ium

C3H6NOS+ — CID 69050831

IUPAC2-sulfanylidene-1,2-oxazolidin-2-ium
SMILESS=[N+]1CCCO1
InChIInChI=1S/C3H6NOS/c6-4-2-1-3-5-4/h1-3H2/q+1
InChIKeyBPLFLSJTSJXSOS-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.06
Rot. Bonds

About 2-sulfanylidene-1,2-oxazolidin-2-ium

2-sulfanylidene-1,2-oxazolidin-2-ium (PubChem CID 69050831) has the molecular formula C3H6NOS+ and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-sulfanylidene-1,2-oxazolidin-2-ium.

Molecular Properties

Compound Name2-sulfanylidene-1,2-oxazolidin-2-ium
PubChem CID69050831
Molecular FormulaC3H6NOS+
Molecular Weight104.15 g/mol
Exact Mass104.02
IUPAC Name2-sulfanylidene-1,2-oxazolidin-2-ium
SMILESS=[N+]1CCCO1
InChIInChI=1S/C3H6NOS/c6-4-2-1-3-5-4/h1-3H2/q+1
InChIKeyBPLFLSJTSJXSOS-UHFFFAOYSA-N
XLogP0.06
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1,2-oxazolidin-2-ium?
The IUPAC name of 2-sulfanylidene-1,2-oxazolidin-2-ium (CID 69050831) is 2-sulfanylidene-1,2-oxazolidin-2-ium.
What is the SMILES notation for 2-sulfanylidene-1,2-oxazolidin-2-ium?
The canonical SMILES for 2-sulfanylidene-1,2-oxazolidin-2-ium is S=[N+]1CCCO1.
What is the InChIKey of 2-sulfanylidene-1,2-oxazolidin-2-ium?
The InChIKey is BPLFLSJTSJXSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOS/c6-4-2-1-3-5-4/h1-3H2/q+1.
What are the key properties of 2-sulfanylidene-1,2-oxazolidin-2-ium?
2-sulfanylidene-1,2-oxazolidin-2-ium has a molecular weight of 104.15 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1,2-oxazolidin-2-ium is sourced from PubChem (CID 69050831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).