4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline

C10H12N2O2S — CID 6060846

IUPAC4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
SMILESCS/C(=C\[N+](=O)[O-])Nc1ccc(C)cc1
InChIInChI=1S/C10H12N2O2S/c1-8-3-5-9(6-4-8)11-10(15-2)7-12(13)14/h3-7,11H,1-2H3/b10-7-
InChIKeyUVZZTECIUXUZEA-YFHOEESVSA-N
MW224.29 g/mol
LogP2.85
Rot. Bonds4

About 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline

4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline (PubChem CID 6060846) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
PubChem CID6060846
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
SMILESCS/C(=C\[N+](=O)[O-])Nc1ccc(C)cc1
InChIInChI=1S/C10H12N2O2S/c1-8-3-5-9(6-4-8)11-10(15-2)7-12(13)14/h3-7,11H,1-2H3/b10-7-
InChIKeyUVZZTECIUXUZEA-YFHOEESVSA-N
XLogP2.85
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
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'}

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Related Compounds

N,N-Dimethyl-4-[(E)-2-nitroethenyl]aniline
CID 774089
N,N-Diethyl-4-[(E)-2-nitroethenyl]aniline
CID 5375781
N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine
CID 2060089
Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)
CID 109563
N-[1-(methylsulfanyl)-2-nitrovinyl]aniline
CID 2768527
4-fluoro-N-[1-(methylsulfanyl)-2-nitrovinyl]aniline
CID 5523713
N-[(4-nitrophenyl)methyl]aniline
CID 96956
2-(4-Nitrophenyl)-1,3-thiazolidine
CID 2771066
(4-Methylphenyl)(4-nitro-1,1-dioxido-2,5-dihydro-3-thienyl)amine
CID 794479
[4-((1Z)-2-nitroprop-1-enyl)phenyl]dimethylamine
CID 695247
N-[4-[(E)-2-nitroethenyl]phenyl]acetamide
CID 5381768
N-methyl-1-(4-nitrophenyl)methanamine
CID 409440

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
The IUPAC name of 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline (CID 6060846) is 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline.
What is the SMILES notation for 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
The canonical SMILES for 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline is CS/C(=C\[N+](=O)[O-])Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
The InChIKey is UVZZTECIUXUZEA-YFHOEESVSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-8-3-5-9(6-4-8)11-10(15-2)7-12(13)14/h3-7,11H,1-2H3/b10-7-.
What are the key properties of 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline has a molecular weight of 224.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline is sourced from PubChem (CID 6060846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).