(6-nitrobenzimidazol-1-yl) thiohypofluorite

C7H4FN3O2S — CID 170769369

IUPAC(6-nitrobenzimidazol-1-yl) thiohypofluorite
SMILESO=[N+]([O-])c1ccc2ncn(SF)c2c1
InChIInChI=1S/C7H4FN3O2S/c8-14-10-4-9-6-2-1-5(11(12)13)3-7(6)10/h1-4H
InChIKeyUAZIEGAQUVRURK-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.33
Rot. Bonds2

About (6-nitrobenzimidazol-1-yl) thiohypofluorite

(6-nitrobenzimidazol-1-yl) thiohypofluorite (PubChem CID 170769369) has the molecular formula C7H4FN3O2S and a molecular weight of 213.19 g/mol. Its IUPAC name is (6-nitrobenzimidazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(6-nitrobenzimidazol-1-yl) thiohypofluorite
PubChem CID170769369
Molecular FormulaC7H4FN3O2S
Molecular Weight213.19 g/mol
Exact Mass213.00
IUPAC Name(6-nitrobenzimidazol-1-yl) thiohypofluorite
SMILESO=[N+]([O-])c1ccc2ncn(SF)c2c1
InChIInChI=1S/C7H4FN3O2S/c8-14-10-4-9-6-2-1-5(11(12)13)3-7(6)10/h1-4H
InChIKeyUAZIEGAQUVRURK-UHFFFAOYSA-N
XLogP2.33
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-nitrobenzimidazol-1-yl) thiohypofluorite?
The IUPAC name of (6-nitrobenzimidazol-1-yl) thiohypofluorite (CID 170769369) is (6-nitrobenzimidazol-1-yl) thiohypofluorite.
What is the SMILES notation for (6-nitrobenzimidazol-1-yl) thiohypofluorite?
The canonical SMILES for (6-nitrobenzimidazol-1-yl) thiohypofluorite is O=[N+]([O-])c1ccc2ncn(SF)c2c1.
What is the InChIKey of (6-nitrobenzimidazol-1-yl) thiohypofluorite?
The InChIKey is UAZIEGAQUVRURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2S/c8-14-10-4-9-6-2-1-5(11(12)13)3-7(6)10/h1-4H.
What are the key properties of (6-nitrobenzimidazol-1-yl) thiohypofluorite?
(6-nitrobenzimidazol-1-yl) thiohypofluorite has a molecular weight of 213.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitrobenzimidazol-1-yl) thiohypofluorite is sourced from PubChem (CID 170769369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).