N-(2-sulfanylphenyl)nitramide

C6H6N2O2S — CID 154181866

IUPACN-(2-sulfanylphenyl)nitramide
SMILESO=[N+]([O-])Nc1ccccc1S
InChIInChI=1S/C6H6N2O2S/c9-8(10)7-5-3-1-2-4-6(5)11/h1-4,7,11H
InChIKeyUMOBESDUZGEDMQ-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.58
Rot. Bonds2

About N-(2-sulfanylphenyl)nitramide

N-(2-sulfanylphenyl)nitramide (PubChem CID 154181866) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is N-(2-sulfanylphenyl)nitramide.

Molecular Properties

Compound NameN-(2-sulfanylphenyl)nitramide
PubChem CID154181866
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC NameN-(2-sulfanylphenyl)nitramide
SMILESO=[N+]([O-])Nc1ccccc1S
InChIInChI=1S/C6H6N2O2S/c9-8(10)7-5-3-1-2-4-6(5)11/h1-4,7,11H
InChIKeyUMOBESDUZGEDMQ-UHFFFAOYSA-N
XLogP1.58
TPSA55.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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

N-[2-(trifluoromethoxy)phenyl]nitramide
CID 70612792
N-(2-nitramido-3-pyridinyl)nitramide
CID 15047297
λ2-plumbane;N-phenylnitramide
CID 174797622
2-[[1,2-bis(3-nitrophenyl)-2-(2-sulfanylanilino)ethyl]amino]benzenethiol
CID 20762548
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
N-(2,3-dicyanophenyl)nitramide
CID 67391163
N-(3-sulfanylphenyl)nitramide
CID 161098957
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
benzenethiol;1,4-dinitrobenzene
CID 174543198
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
2-oxo-N-(2-sulfanylphenyl)acetamide
CID 173253850
N-(2,6-dimethylphenyl)nitramide
CID 13106750

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylphenyl)nitramide?
The IUPAC name of N-(2-sulfanylphenyl)nitramide (CID 154181866) is N-(2-sulfanylphenyl)nitramide.
What is the SMILES notation for N-(2-sulfanylphenyl)nitramide?
The canonical SMILES for N-(2-sulfanylphenyl)nitramide is O=[N+]([O-])Nc1ccccc1S.
What is the InChIKey of N-(2-sulfanylphenyl)nitramide?
The InChIKey is UMOBESDUZGEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c9-8(10)7-5-3-1-2-4-6(5)11/h1-4,7,11H.
What are the key properties of N-(2-sulfanylphenyl)nitramide?
N-(2-sulfanylphenyl)nitramide has a molecular weight of 170.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylphenyl)nitramide is sourced from PubChem (CID 154181866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).