(4-nitroimidazol-1-yl) thiohypofluorite

C3H2FN3O2S — CID 145217342

IUPAC(4-nitroimidazol-1-yl) thiohypofluorite
SMILESO=[N+]([O-])c1cn(SF)cn1
InChIInChI=1S/C3H2FN3O2S/c4-10-6-1-3(5-2-6)7(8)9/h1-2H
InChIKeyRWMDBGRXEDQWER-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.17
Rot. Bonds2

About (4-nitroimidazol-1-yl) thiohypofluorite

(4-nitroimidazol-1-yl) thiohypofluorite (PubChem CID 145217342) has the molecular formula C3H2FN3O2S and a molecular weight of 163.13 g/mol. Its IUPAC name is (4-nitroimidazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(4-nitroimidazol-1-yl) thiohypofluorite
PubChem CID145217342
Molecular FormulaC3H2FN3O2S
Molecular Weight163.13 g/mol
Exact Mass162.99
IUPAC Name(4-nitroimidazol-1-yl) thiohypofluorite
SMILESO=[N+]([O-])c1cn(SF)cn1
InChIInChI=1S/C3H2FN3O2S/c4-10-6-1-3(5-2-6)7(8)9/h1-2H
InChIKeyRWMDBGRXEDQWER-UHFFFAOYSA-N
XLogP1.17
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.17
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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Related Compounds

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CID 68722485
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CID 24756833
3-(4-nitroimidazol-1-yl)butan-2-one
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4-nitro-1-(oxetan-2-yl)imidazole
CID 172838816
3-(4-nitroimidazol-1-yl)cyclobutan-1-amine
CID 20738541
1-hexyl-4-nitroimidazole
CID 26793694
1-(2-ethylsulfonylethyl)-4-nitroimidazole
CID 10082708
1-chloro-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 112560100
5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole
CID 101439992
(6-nitrobenzimidazol-1-yl) thiohypofluorite
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5-iodo-4-(4-nitroimidazol-1-yl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of (4-nitroimidazol-1-yl) thiohypofluorite?
The IUPAC name of (4-nitroimidazol-1-yl) thiohypofluorite (CID 145217342) is (4-nitroimidazol-1-yl) thiohypofluorite.
What is the SMILES notation for (4-nitroimidazol-1-yl) thiohypofluorite?
The canonical SMILES for (4-nitroimidazol-1-yl) thiohypofluorite is O=[N+]([O-])c1cn(SF)cn1.
What is the InChIKey of (4-nitroimidazol-1-yl) thiohypofluorite?
The InChIKey is RWMDBGRXEDQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FN3O2S/c4-10-6-1-3(5-2-6)7(8)9/h1-2H.
What are the key properties of (4-nitroimidazol-1-yl) thiohypofluorite?
(4-nitroimidazol-1-yl) thiohypofluorite has a molecular weight of 163.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitroimidazol-1-yl) thiohypofluorite is sourced from PubChem (CID 145217342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).