N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline

C14H16N2S2 — CID 89029786

IUPACN-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline
SMILESCSNc1ccccc1-c1ccccc1NSC
InChIInChI=1S/C14H16N2S2/c1-17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-18-2/h3-10,15-16H,1-2H3
InChIKeyDLUXDTYLQSXYBD-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.73
Rot. Bonds5

About N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline

N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline (PubChem CID 89029786) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline.

Molecular Properties

Compound NameN-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline
PubChem CID89029786
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC NameN-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline
SMILESCSNc1ccccc1-c1ccccc1NSC
InChIInChI=1S/C14H16N2S2/c1-17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-18-2/h3-10,15-16H,1-2H3
InChIKeyDLUXDTYLQSXYBD-UHFFFAOYSA-N
XLogP4.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline?
The IUPAC name of N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline (CID 89029786) is N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline.
What is the SMILES notation for N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline?
The canonical SMILES for N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline is CSNc1ccccc1-c1ccccc1NSC.
What is the InChIKey of N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline?
The InChIKey is DLUXDTYLQSXYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-18-2/h3-10,15-16H,1-2H3.
What are the key properties of N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline?
N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline has a molecular weight of 276.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-2-[2-(methylsulfanylamino)phenyl]aniline is sourced from PubChem (CID 89029786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).