10-ethylphenothiazine-4-carboxylic acid

C15H13NO2S — CID 638539

IUPAC10-ethylphenothiazine-4-carboxylic acid
SMILESCCN1c2ccccc2Sc2c(C(=O)O)cccc21
InChIInChI=1S/C15H13NO2S/c1-2-16-11-7-3-4-9-13(11)19-14-10(15(17)18)6-5-8-12(14)16/h3-9H,2H2,1H3,(H,17,18)
InChIKeyBETLSGXAHKBRAR-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.01
Rot. Bonds2

About 10-ethylphenothiazine-4-carboxylic acid

10-ethylphenothiazine-4-carboxylic acid (PubChem CID 638539) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 10-ethylphenothiazine-4-carboxylic acid.

Molecular Properties

Compound Name10-ethylphenothiazine-4-carboxylic acid
PubChem CID638539
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name10-ethylphenothiazine-4-carboxylic acid
SMILESCCN1c2ccccc2Sc2c(C(=O)O)cccc21
InChIInChI=1S/C15H13NO2S/c1-2-16-11-7-3-4-9-13(11)19-14-10(15(17)18)6-5-8-12(14)16/h3-9H,2H2,1H3,(H,17,18)
InChIKeyBETLSGXAHKBRAR-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethylphenothiazine-4-carboxylic acid?
The IUPAC name of 10-ethylphenothiazine-4-carboxylic acid (CID 638539) is 10-ethylphenothiazine-4-carboxylic acid.
What is the SMILES notation for 10-ethylphenothiazine-4-carboxylic acid?
The canonical SMILES for 10-ethylphenothiazine-4-carboxylic acid is CCN1c2ccccc2Sc2c(C(=O)O)cccc21.
What is the InChIKey of 10-ethylphenothiazine-4-carboxylic acid?
The InChIKey is BETLSGXAHKBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-16-11-7-3-4-9-13(11)19-14-10(15(17)18)6-5-8-12(14)16/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 10-ethylphenothiazine-4-carboxylic acid?
10-ethylphenothiazine-4-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylphenothiazine-4-carboxylic acid is sourced from PubChem (CID 638539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).