N-(2-nitrophenyl)thiohydroxylamine

C6H6N2O2S — CID 59024861

IUPACN-(2-nitrophenyl)thiohydroxylamine
SMILESO=[N+]([O-])c1ccccc1NS
InChIInChI=1S/C6H6N2O2S/c9-8(10)6-4-2-1-3-5(6)7-11/h1-4,7,11H
InChIKeyJSCMMDZCVILNMP-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.85
Rot. Bonds2

About N-(2-nitrophenyl)thiohydroxylamine

N-(2-nitrophenyl)thiohydroxylamine (PubChem CID 59024861) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is N-(2-nitrophenyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-nitrophenyl)thiohydroxylamine
PubChem CID59024861
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC NameN-(2-nitrophenyl)thiohydroxylamine
SMILESO=[N+]([O-])c1ccccc1NS
InChIInChI=1S/C6H6N2O2S/c9-8(10)6-4-2-1-3-5(6)7-11/h1-4,7,11H
InChIKeyJSCMMDZCVILNMP-UHFFFAOYSA-N
XLogP1.85
TPSA55.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2-nitrophenyl)hydrazine
CID 88943642
N-(2-nitroanilino)formamide
CID 3674192
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
azanide;1,2-dinitrobenzene;platinum
CID 158959684
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)thiohydroxylamine?
The IUPAC name of N-(2-nitrophenyl)thiohydroxylamine (CID 59024861) is N-(2-nitrophenyl)thiohydroxylamine.
What is the SMILES notation for N-(2-nitrophenyl)thiohydroxylamine?
The canonical SMILES for N-(2-nitrophenyl)thiohydroxylamine is O=[N+]([O-])c1ccccc1NS.
What is the InChIKey of N-(2-nitrophenyl)thiohydroxylamine?
The InChIKey is JSCMMDZCVILNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c9-8(10)6-4-2-1-3-5(6)7-11/h1-4,7,11H.
What are the key properties of N-(2-nitrophenyl)thiohydroxylamine?
N-(2-nitrophenyl)thiohydroxylamine has a molecular weight of 170.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)thiohydroxylamine is sourced from PubChem (CID 59024861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).