2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol

C20H19N3OS — CID 137196775

IUPAC2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol
SMILESCc1ccc(Sc2ccc(/N=N/c3cc(C)ccc3O)c(N)c2)cc1
InChIInChI=1S/C20H19N3OS/c1-13-3-6-15(7-4-13)25-16-8-9-18(17(21)12-16)22-23-19-11-14(2)5-10-20(19)24/h3-12,24H,21H2,1-2H3/b23-22+
InChIKeyFTXXKKVQXUZUDX-GHVJWSGMSA-N
MW349.46 g/mol
LogP6.16
Rot. Bonds4

About 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol

2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol (PubChem CID 137196775) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol
PubChem CID137196775
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol
SMILESCc1ccc(Sc2ccc(/N=N/c3cc(C)ccc3O)c(N)c2)cc1
InChIInChI=1S/C20H19N3OS/c1-13-3-6-15(7-4-13)25-16-8-9-18(17(21)12-16)22-23-19-11-14(2)5-10-20(19)24/h3-12,24H,21H2,1-2H3/b23-22+
InChIKeyFTXXKKVQXUZUDX-GHVJWSGMSA-N
XLogP6.16
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol?
The IUPAC name of 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol (CID 137196775) is 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol.
What is the SMILES notation for 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol?
The canonical SMILES for 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol is Cc1ccc(Sc2ccc(/N=N/c3cc(C)ccc3O)c(N)c2)cc1.
What is the InChIKey of 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol?
The InChIKey is FTXXKKVQXUZUDX-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-3-6-15(7-4-13)25-16-8-9-18(17(21)12-16)22-23-19-11-14(2)5-10-20(19)24/h3-12,24H,21H2,1-2H3/b23-22+.
What are the key properties of 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol?
2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol has a molecular weight of 349.46 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol is sourced from PubChem (CID 137196775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).