2-(2-methylphenyl)sulfanyl-N-phenylaniline

C19H17NS — CID 145291254

IUPAC2-(2-methylphenyl)sulfanyl-N-phenylaniline
SMILESCc1ccccc1Sc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H17NS/c1-15-9-5-7-13-18(15)21-19-14-8-6-12-17(19)20-16-10-3-2-4-11-16/h2-14,20H,1H3
InChIKeyPPEFVJGNGGRFKR-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.89
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-N-phenylaniline

2-(2-methylphenyl)sulfanyl-N-phenylaniline (PubChem CID 145291254) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-phenylaniline.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-phenylaniline
PubChem CID145291254
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name2-(2-methylphenyl)sulfanyl-N-phenylaniline
SMILESCc1ccccc1Sc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H17NS/c1-15-9-5-7-13-18(15)21-19-14-8-6-12-17(19)20-16-10-3-2-4-11-16/h2-14,20H,1H3
InChIKeyPPEFVJGNGGRFKR-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-phenylaniline?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-phenylaniline (CID 145291254) is 2-(2-methylphenyl)sulfanyl-N-phenylaniline.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-phenylaniline?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-phenylaniline is Cc1ccccc1Sc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-phenylaniline?
The InChIKey is PPEFVJGNGGRFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-15-9-5-7-13-18(15)21-19-14-8-6-12-17(19)20-16-10-3-2-4-11-16/h2-14,20H,1H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-phenylaniline?
2-(2-methylphenyl)sulfanyl-N-phenylaniline has a molecular weight of 291.42 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-phenylaniline is sourced from PubChem (CID 145291254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).