(4-hydroxy-2-nitrophenyl) thiohypofluorite

C6H4FNO3S — CID 145486650

IUPAC(4-hydroxy-2-nitrophenyl) thiohypofluorite
SMILESO=[N+]([O-])c1cc(O)ccc1SF
InChIInChI=1S/C6H4FNO3S/c7-12-6-2-1-4(9)3-5(6)8(10)11/h1-3,9H
InChIKeyGAYMPUBNVJICAW-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.28
Rot. Bonds2

About (4-hydroxy-2-nitrophenyl) thiohypofluorite

(4-hydroxy-2-nitrophenyl) thiohypofluorite (PubChem CID 145486650) has the molecular formula C6H4FNO3S and a molecular weight of 189.17 g/mol. Its IUPAC name is (4-hydroxy-2-nitrophenyl) thiohypofluorite.

Molecular Properties

Compound Name(4-hydroxy-2-nitrophenyl) thiohypofluorite
PubChem CID145486650
Molecular FormulaC6H4FNO3S
Molecular Weight189.17 g/mol
Exact Mass188.99
IUPAC Name(4-hydroxy-2-nitrophenyl) thiohypofluorite
SMILESO=[N+]([O-])c1cc(O)ccc1SF
InChIInChI=1S/C6H4FNO3S/c7-12-6-2-1-4(9)3-5(6)8(10)11/h1-3,9H
InChIKeyGAYMPUBNVJICAW-UHFFFAOYSA-N
XLogP2.28
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-Nitrophenol
CID 11137
2-Iodo-3-nitrophenol
CID 12167350
2-Fluoro-5-nitrophenol
CID 23498100
4-Fluoro-3-nitrophenol
CID 16751861
2-Iodo-5-nitrophenol
CID 18672602
3-Fluoro-5-nitrophenol
CID 269073
4-Iodo-3-nitrophenol
CID 2733454
4-(2-Nitrophenyl)sulfanylphenol
CID 21430272
4-(18F)fluoro-3-nitro(18F)phenol
CID 153702136
2-Fluoro-3-nitrophenol
CID 23340673
4-Methoxy-2-nitrobenzenethiol
CID 13721359
3-Nitrosophenol
CID 15651777

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-nitrophenyl) thiohypofluorite?
The IUPAC name of (4-hydroxy-2-nitrophenyl) thiohypofluorite (CID 145486650) is (4-hydroxy-2-nitrophenyl) thiohypofluorite.
What is the SMILES notation for (4-hydroxy-2-nitrophenyl) thiohypofluorite?
The canonical SMILES for (4-hydroxy-2-nitrophenyl) thiohypofluorite is O=[N+]([O-])c1cc(O)ccc1SF.
What is the InChIKey of (4-hydroxy-2-nitrophenyl) thiohypofluorite?
The InChIKey is GAYMPUBNVJICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3S/c7-12-6-2-1-4(9)3-5(6)8(10)11/h1-3,9H.
What are the key properties of (4-hydroxy-2-nitrophenyl) thiohypofluorite?
(4-hydroxy-2-nitrophenyl) thiohypofluorite has a molecular weight of 189.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-nitrophenyl) thiohypofluorite is sourced from PubChem (CID 145486650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).