(9-aminobenzo[f][1]benzothiol-8-yl)methanol

C13H11NOS — CID 15893277

IUPAC(9-aminobenzo[f][1]benzothiol-8-yl)methanol
SMILESNc1c2sccc2cc2cccc(CO)c12
InChIInChI=1S/C13H11NOS/c14-12-11-8(2-1-3-10(11)7-15)6-9-4-5-16-13(9)12/h1-6,15H,7,14H2
InChIKeyPLFUEHUEDBLAHI-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.13
Rot. Bonds1

About (9-aminobenzo[f][1]benzothiol-8-yl)methanol

(9-aminobenzo[f][1]benzothiol-8-yl)methanol (PubChem CID 15893277) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (9-aminobenzo[f][1]benzothiol-8-yl)methanol.

Molecular Properties

Compound Name(9-aminobenzo[f][1]benzothiol-8-yl)methanol
PubChem CID15893277
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(9-aminobenzo[f][1]benzothiol-8-yl)methanol
SMILESNc1c2sccc2cc2cccc(CO)c12
InChIInChI=1S/C13H11NOS/c14-12-11-8(2-1-3-10(11)7-15)6-9-4-5-16-13(9)12/h1-6,15H,7,14H2
InChIKeyPLFUEHUEDBLAHI-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.13
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 (9-aminobenzo[f][1]benzothiol-8-yl)methanol?
The IUPAC name of (9-aminobenzo[f][1]benzothiol-8-yl)methanol (CID 15893277) is (9-aminobenzo[f][1]benzothiol-8-yl)methanol.
What is the SMILES notation for (9-aminobenzo[f][1]benzothiol-8-yl)methanol?
The canonical SMILES for (9-aminobenzo[f][1]benzothiol-8-yl)methanol is Nc1c2sccc2cc2cccc(CO)c12.
What is the InChIKey of (9-aminobenzo[f][1]benzothiol-8-yl)methanol?
The InChIKey is PLFUEHUEDBLAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-12-11-8(2-1-3-10(11)7-15)6-9-4-5-16-13(9)12/h1-6,15H,7,14H2.
What are the key properties of (9-aminobenzo[f][1]benzothiol-8-yl)methanol?
(9-aminobenzo[f][1]benzothiol-8-yl)methanol has a molecular weight of 229.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-aminobenzo[f][1]benzothiol-8-yl)methanol is sourced from PubChem (CID 15893277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).