3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline

C13H14N4O2S — CID 107647332

IUPAC3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
SMILESCSc1ccccc1Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2S/c1-20-12-8-3-2-5-9(12)15-10-6-4-7-11(16-14)13(10)17(18)19/h2-8,15-16H,14H2,1H3
InChIKeyNBVWAIWRGQJBBH-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.35
Rot. Bonds5

About 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline

3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline (PubChem CID 107647332) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
PubChem CID107647332
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
SMILESCSc1ccccc1Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2S/c1-20-12-8-3-2-5-9(12)15-10-6-4-7-11(16-14)13(10)17(18)19/h2-8,15-16H,14H2,1H3
InChIKeyNBVWAIWRGQJBBH-UHFFFAOYSA-N
XLogP3.35
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645666
3-chloro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645657
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
3-hydrazinyl-N-(3-methylsulfanylphenyl)-2-nitroaniline
CID 80930417
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
N-bromo-3-methylsulfanyl-2-nitroaniline
CID 174883313
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
CID 80921971
N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80906963
N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80928610
(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
CID 80925330
4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline (CID 107647332) is 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline is CSc1ccccc1Nc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline?
The InChIKey is NBVWAIWRGQJBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-20-12-8-3-2-5-9(12)15-10-6-4-7-11(16-14)13(10)17(18)19/h2-8,15-16H,14H2,1H3.
What are the key properties of 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline?
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline has a molecular weight of 290.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline is sourced from PubChem (CID 107647332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).