[2-(4-aminophenyl)sulfanylphenyl]methanol

C13H13NOS — CID 1042870

IUPAC[2-(4-aminophenyl)sulfanylphenyl]methanol
SMILESNc1ccc(Sc2ccccc2CO)cc1
InChIInChI=1S/C13H13NOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9,14H2
InChIKeyNPYAKCCZQNLPJI-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.91
Rot. Bonds3

About [2-(4-aminophenyl)sulfanylphenyl]methanol

[2-(4-aminophenyl)sulfanylphenyl]methanol (PubChem CID 1042870) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is [2-(4-aminophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-(4-aminophenyl)sulfanylphenyl]methanol
PubChem CID1042870
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name[2-(4-aminophenyl)sulfanylphenyl]methanol
SMILESNc1ccc(Sc2ccccc2CO)cc1
InChIInChI=1S/C13H13NOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9,14H2
InChIKeyNPYAKCCZQNLPJI-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)sulfanylphenyl]methanol?
The IUPAC name of [2-(4-aminophenyl)sulfanylphenyl]methanol (CID 1042870) is [2-(4-aminophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [2-(4-aminophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [2-(4-aminophenyl)sulfanylphenyl]methanol is Nc1ccc(Sc2ccccc2CO)cc1.
What is the InChIKey of [2-(4-aminophenyl)sulfanylphenyl]methanol?
The InChIKey is NPYAKCCZQNLPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9,14H2.
What are the key properties of [2-(4-aminophenyl)sulfanylphenyl]methanol?
[2-(4-aminophenyl)sulfanylphenyl]methanol has a molecular weight of 231.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 1042870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).