2-(5-fluoro-2-nitrophenyl)sulfanylphenol

C12H8FNO3S — CID 62375935

IUPAC2-(5-fluoro-2-nitrophenyl)sulfanylphenol
SMILESO=[N+]([O-])c1ccc(F)cc1Sc1ccccc1O
InChIInChI=1S/C12H8FNO3S/c13-8-5-6-9(14(16)17)12(7-8)18-11-4-2-1-3-10(11)15/h1-7,15H
InChIKeyWAQCJUHVWLCZMK-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.59
Rot. Bonds3

About 2-(5-fluoro-2-nitrophenyl)sulfanylphenol

2-(5-fluoro-2-nitrophenyl)sulfanylphenol (PubChem CID 62375935) has the molecular formula C12H8FNO3S and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenyl)sulfanylphenol.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenyl)sulfanylphenol
PubChem CID62375935
Molecular FormulaC12H8FNO3S
Molecular Weight265.26 g/mol
Exact Mass265.02
IUPAC Name2-(5-fluoro-2-nitrophenyl)sulfanylphenol
SMILESO=[N+]([O-])c1ccc(F)cc1Sc1ccccc1O
InChIInChI=1S/C12H8FNO3S/c13-8-5-6-9(14(16)17)12(7-8)18-11-4-2-1-3-10(11)15/h1-7,15H
InChIKeyWAQCJUHVWLCZMK-UHFFFAOYSA-N
XLogP3.59
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.59
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-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
CID 10659193
2-(5-bromo-2-nitrophenyl)sulfanylphenol
CID 65343073
2-[(5-fluoro-2-nitrophenyl)methylsulfanyl]phenol
CID 62028196
methyl 2-(5-fluoro-2-nitrophenyl)sulfanylbenzoate
CID 174909125
2-(4,5-dimethoxy-2-nitrophenyl)sulfanylphenol
CID 83004088
2-(4-methyl-2-nitrophenyl)sulfanylphenol
CID 62027442
2-(4-iodo-2-nitrophenyl)sulfanylphenol
CID 66082508
1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801526
5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
CID 77004177
(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370307
3-(2,5-difluorophenyl)sulfanyl-4-nitrobenzonitrile
CID 133478494
2-(4-methylsulfonyl-2-nitrophenyl)sulfanylphenol
CID 62028778

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenyl)sulfanylphenol?
The IUPAC name of 2-(5-fluoro-2-nitrophenyl)sulfanylphenol (CID 62375935) is 2-(5-fluoro-2-nitrophenyl)sulfanylphenol.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenyl)sulfanylphenol?
The canonical SMILES for 2-(5-fluoro-2-nitrophenyl)sulfanylphenol is O=[N+]([O-])c1ccc(F)cc1Sc1ccccc1O.
What is the InChIKey of 2-(5-fluoro-2-nitrophenyl)sulfanylphenol?
The InChIKey is WAQCJUHVWLCZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-8-5-6-9(14(16)17)12(7-8)18-11-4-2-1-3-10(11)15/h1-7,15H.
What are the key properties of 2-(5-fluoro-2-nitrophenyl)sulfanylphenol?
2-(5-fluoro-2-nitrophenyl)sulfanylphenol has a molecular weight of 265.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenyl)sulfanylphenol is sourced from PubChem (CID 62375935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).