N-[(3-methylsulfanylphenyl)methylideneamino]aniline

C14H14N2S — CID 169381797

IUPACN-[(3-methylsulfanylphenyl)methylideneamino]aniline
SMILESCSc1cccc(C=NNc2ccccc2)c1
InChIInChI=1S/C14H14N2S/c1-17-14-9-5-6-12(10-14)11-15-16-13-7-3-2-4-8-13/h2-11,16H,1H3
InChIKeyIACXODHQTLTSBF-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.85
Rot. Bonds4

About N-[(3-methylsulfanylphenyl)methylideneamino]aniline

N-[(3-methylsulfanylphenyl)methylideneamino]aniline (PubChem CID 169381797) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[(3-methylsulfanylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-methylsulfanylphenyl)methylideneamino]aniline
PubChem CID169381797
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC NameN-[(3-methylsulfanylphenyl)methylideneamino]aniline
SMILESCSc1cccc(C=NNc2ccccc2)c1
InChIInChI=1S/C14H14N2S/c1-17-14-9-5-6-12(10-14)11-15-16-13-7-3-2-4-8-13/h2-11,16H,1H3
InChIKeyIACXODHQTLTSBF-UHFFFAOYSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(3-methylsulfanylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577310
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[[3-(2-fluorophenyl)phenyl]methylideneamino]aniline
CID 169382256
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol
CID 169382274
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline
CID 169383574
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfanylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-methylsulfanylphenyl)methylideneamino]aniline (CID 169381797) is N-[(3-methylsulfanylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-methylsulfanylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-methylsulfanylphenyl)methylideneamino]aniline is CSc1cccc(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(3-methylsulfanylphenyl)methylideneamino]aniline?
The InChIKey is IACXODHQTLTSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-17-14-9-5-6-12(10-14)11-15-16-13-7-3-2-4-8-13/h2-11,16H,1H3.
What are the key properties of N-[(3-methylsulfanylphenyl)methylideneamino]aniline?
N-[(3-methylsulfanylphenyl)methylideneamino]aniline has a molecular weight of 242.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).