2-phenothiazin-10-ylpropanoic acid

C15H13NO2S — CID 14922577

IUPAC2-phenothiazin-10-ylpropanoic acid
SMILESCC(C(=O)O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-10(15(17)18)16-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)16/h2-10H,1H3,(H,17,18)
InChIKeyWLCSIWSKHNHNEJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.76
Rot. Bonds2

About 2-phenothiazin-10-ylpropanoic acid

2-phenothiazin-10-ylpropanoic acid (PubChem CID 14922577) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-phenothiazin-10-ylpropanoic acid.

Molecular Properties

Compound Name2-phenothiazin-10-ylpropanoic acid
PubChem CID14922577
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-phenothiazin-10-ylpropanoic acid
SMILESCC(C(=O)O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-10(15(17)18)16-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)16/h2-10H,1H3,(H,17,18)
InChIKeyWLCSIWSKHNHNEJ-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-ylpropanoic acid?
The IUPAC name of 2-phenothiazin-10-ylpropanoic acid (CID 14922577) is 2-phenothiazin-10-ylpropanoic acid.
What is the SMILES notation for 2-phenothiazin-10-ylpropanoic acid?
The canonical SMILES for 2-phenothiazin-10-ylpropanoic acid is CC(C(=O)O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-phenothiazin-10-ylpropanoic acid?
The InChIKey is WLCSIWSKHNHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10(15(17)18)16-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)16/h2-10H,1H3,(H,17,18).
What are the key properties of 2-phenothiazin-10-ylpropanoic acid?
2-phenothiazin-10-ylpropanoic acid has a molecular weight of 271.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-ylpropanoic acid is sourced from PubChem (CID 14922577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).