(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite

C10H4BrFN2O2S — CID 145101537

IUPAC(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite
SMILESO=c1oc2ccccc2c2c1nc(Br)n2SF
InChIInChI=1S/C10H4BrFN2O2S/c11-10-13-7-8(14(10)17-12)5-3-1-2-4-6(5)16-9(7)15/h1-4H
InChIKeyQYEYDSKJBLIFLS-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.29
Rot. Bonds1

About (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite

(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite (PubChem CID 145101537) has the molecular formula C10H4BrFN2O2S and a molecular weight of 315.12 g/mol. Its IUPAC name is (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite
PubChem CID145101537
Molecular FormulaC10H4BrFN2O2S
Molecular Weight315.12 g/mol
Exact Mass313.92
IUPAC Name(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite
SMILESO=c1oc2ccccc2c2c1nc(Br)n2SF
InChIInChI=1S/C10H4BrFN2O2S/c11-10-13-7-8(14(10)17-12)5-3-1-2-4-6(5)16-9(7)15/h1-4H
InChIKeyQYEYDSKJBLIFLS-UHFFFAOYSA-N
XLogP3.29
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite?
The IUPAC name of (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite (CID 145101537) is (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite.
What is the SMILES notation for (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite?
The canonical SMILES for (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite is O=c1oc2ccccc2c2c1nc(Br)n2SF.
What is the InChIKey of (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite?
The InChIKey is QYEYDSKJBLIFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrFN2O2S/c11-10-13-7-8(14(10)17-12)5-3-1-2-4-6(5)16-9(7)15/h1-4H.
What are the key properties of (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite?
(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite has a molecular weight of 315.12 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite is sourced from PubChem (CID 145101537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).