5-methylsulfanyl-2-nitrobenzohydrazide

C8H9N3O3S — CID 43091236

IUPAC5-methylsulfanyl-2-nitrobenzohydrazide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)NN)c1
InChIInChI=1S/C8H9N3O3S/c1-15-5-2-3-7(11(13)14)6(4-5)8(12)10-9/h2-4H,9H2,1H3,(H,10,12)
InChIKeyGSWKCECACXUOPL-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.92
Rot. Bonds3

About 5-methylsulfanyl-2-nitrobenzohydrazide

5-methylsulfanyl-2-nitrobenzohydrazide (PubChem CID 43091236) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 5-methylsulfanyl-2-nitrobenzohydrazide.

Molecular Properties

Compound Name5-methylsulfanyl-2-nitrobenzohydrazide
PubChem CID43091236
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name5-methylsulfanyl-2-nitrobenzohydrazide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)NN)c1
InChIInChI=1S/C8H9N3O3S/c1-15-5-2-3-7(11(13)14)6(4-5)8(12)10-9/h2-4H,9H2,1H3,(H,10,12)
InChIKeyGSWKCECACXUOPL-UHFFFAOYSA-N
XLogP0.92
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 47128313
5-methylsulfanyl-2-nitrobenzamide
CID 43091237
N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide
CID 112550884
methyl 2-[(5-methylsulfanyl-2-nitrobenzoyl)amino]acetate
CID 27682547
methyl 2-hydroxy-3-[(5-methylsulfanyl-2-nitrobenzoyl)amino]propanoate
CID 103879308
5-methylsulfanyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 35353392
N-(2-ethylphenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27895530
5-methylsulfanyl-2-nitro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953445
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5-methylsulfanyl-2-nitrobenzamide
CID 103767342
N-(4-methylcyclohexyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27020308
5-methylsulfanyl-2-nitro-N-(3-phenylsulfanylpropyl)benzamide
CID 27828924
5-methylsulfanyl-2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052978

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-nitrobenzohydrazide?
The IUPAC name of 5-methylsulfanyl-2-nitrobenzohydrazide (CID 43091236) is 5-methylsulfanyl-2-nitrobenzohydrazide.
What is the SMILES notation for 5-methylsulfanyl-2-nitrobenzohydrazide?
The canonical SMILES for 5-methylsulfanyl-2-nitrobenzohydrazide is CSc1ccc([N+](=O)[O-])c(C(=O)NN)c1.
What is the InChIKey of 5-methylsulfanyl-2-nitrobenzohydrazide?
The InChIKey is GSWKCECACXUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c1-15-5-2-3-7(11(13)14)6(4-5)8(12)10-9/h2-4H,9H2,1H3,(H,10,12).
What are the key properties of 5-methylsulfanyl-2-nitrobenzohydrazide?
5-methylsulfanyl-2-nitrobenzohydrazide has a molecular weight of 227.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-nitrobenzohydrazide is sourced from PubChem (CID 43091236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).