(2-nitrophenyl)methyl thiohypofluorite

C7H6FNO2S — CID 156702153

IUPAC(2-nitrophenyl)methyl thiohypofluorite
SMILESO=[N+]([O-])c1ccccc1CSF
InChIInChI=1S/C7H6FNO2S/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKeyYUIKUBACHSYGMR-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.71
Rot. Bonds3

About (2-nitrophenyl)methyl thiohypofluorite

(2-nitrophenyl)methyl thiohypofluorite (PubChem CID 156702153) has the molecular formula C7H6FNO2S and a molecular weight of 187.19 g/mol. Its IUPAC name is (2-nitrophenyl)methyl thiohypofluorite.

Molecular Properties

Compound Name(2-nitrophenyl)methyl thiohypofluorite
PubChem CID156702153
Molecular FormulaC7H6FNO2S
Molecular Weight187.19 g/mol
Exact Mass187.01
IUPAC Name(2-nitrophenyl)methyl thiohypofluorite
SMILESO=[N+]([O-])c1ccccc1CSF
InChIInChI=1S/C7H6FNO2S/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKeyYUIKUBACHSYGMR-UHFFFAOYSA-N
XLogP2.71
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[(2-nitrophenyl)methylsulfanyl]ethanamine
CID 24697543
(2-nitrophenyl)methanol
CID 11923
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
sodium (2-nitrophenyl)methanesulfinate
CID 165455287
1-[(2-nitrophenyl)methylsulfanyl]propan-2-amine
CID 66217252
2-[(2-nitrophenyl)methylsulfanyl]benzaldehyde
CID 139661430
methanol;(2-nitrophenyl)methanol
CID 70046885
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
(2-nitrophenyl)methoxymethanamine
CID 175012109
2,4-dimethyl-1-[(2-nitrophenyl)methylsulfanyl]benzene
CID 112786293
6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine
CID 15032611
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methyl thiohypofluorite?
The IUPAC name of (2-nitrophenyl)methyl thiohypofluorite (CID 156702153) is (2-nitrophenyl)methyl thiohypofluorite.
What is the SMILES notation for (2-nitrophenyl)methyl thiohypofluorite?
The canonical SMILES for (2-nitrophenyl)methyl thiohypofluorite is O=[N+]([O-])c1ccccc1CSF.
What is the InChIKey of (2-nitrophenyl)methyl thiohypofluorite?
The InChIKey is YUIKUBACHSYGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2S/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2.
What are the key properties of (2-nitrophenyl)methyl thiohypofluorite?
(2-nitrophenyl)methyl thiohypofluorite has a molecular weight of 187.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methyl thiohypofluorite is sourced from PubChem (CID 156702153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).