2-methyl-N-(4-phenylphenyl)sulfanylaniline

C19H17NS — CID 177246541

IUPAC2-methyl-N-(4-phenylphenyl)sulfanylaniline
SMILESCc1ccccc1NSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NS/c1-15-7-5-6-10-19(15)20-21-18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14,20H,1H3
InChIKeyYRWJPHPWFRTKAV-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.78
Rot. Bonds4

About 2-methyl-N-(4-phenylphenyl)sulfanylaniline

2-methyl-N-(4-phenylphenyl)sulfanylaniline (PubChem CID 177246541) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-methyl-N-(4-phenylphenyl)sulfanylaniline
PubChem CID177246541
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name2-methyl-N-(4-phenylphenyl)sulfanylaniline
SMILESCc1ccccc1NSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NS/c1-15-7-5-6-10-19(15)20-21-18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14,20H,1H3
InChIKeyYRWJPHPWFRTKAV-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-(4-phenylphenyl)sulfanylaniline?
The IUPAC name of 2-methyl-N-(4-phenylphenyl)sulfanylaniline (CID 177246541) is 2-methyl-N-(4-phenylphenyl)sulfanylaniline.
What is the SMILES notation for 2-methyl-N-(4-phenylphenyl)sulfanylaniline?
The canonical SMILES for 2-methyl-N-(4-phenylphenyl)sulfanylaniline is Cc1ccccc1NSc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-(4-phenylphenyl)sulfanylaniline?
The InChIKey is YRWJPHPWFRTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-15-7-5-6-10-19(15)20-21-18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14,20H,1H3.
What are the key properties of 2-methyl-N-(4-phenylphenyl)sulfanylaniline?
2-methyl-N-(4-phenylphenyl)sulfanylaniline has a molecular weight of 291.42 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylphenyl)sulfanylaniline is sourced from PubChem (CID 177246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).