2-phenothiazin-10-ylphenol

C18H13NOS — CID 59609592

IUPAC2-phenothiazin-10-ylphenol
SMILESOc1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H13NOS/c20-16-10-4-1-7-13(16)19-14-8-2-5-11-17(14)21-18-12-6-3-9-15(18)19/h1-12,20H
InChIKeyXFSXIJPNJOIOFO-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.33
Rot. Bonds1

About 2-phenothiazin-10-ylphenol

2-phenothiazin-10-ylphenol (PubChem CID 59609592) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-phenothiazin-10-ylphenol.

Molecular Properties

Compound Name2-phenothiazin-10-ylphenol
PubChem CID59609592
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name2-phenothiazin-10-ylphenol
SMILESOc1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H13NOS/c20-16-10-4-1-7-13(16)19-14-8-2-5-11-17(14)21-18-12-6-3-9-15(18)19/h1-12,20H
InChIKeyXFSXIJPNJOIOFO-UHFFFAOYSA-N
XLogP5.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-ylphenol?
The IUPAC name of 2-phenothiazin-10-ylphenol (CID 59609592) is 2-phenothiazin-10-ylphenol.
What is the SMILES notation for 2-phenothiazin-10-ylphenol?
The canonical SMILES for 2-phenothiazin-10-ylphenol is Oc1ccccc1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-phenothiazin-10-ylphenol?
The InChIKey is XFSXIJPNJOIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c20-16-10-4-1-7-13(16)19-14-8-2-5-11-17(14)21-18-12-6-3-9-15(18)19/h1-12,20H.
What are the key properties of 2-phenothiazin-10-ylphenol?
2-phenothiazin-10-ylphenol has a molecular weight of 291.38 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-ylphenol is sourced from PubChem (CID 59609592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).