10-methylphenothiazine-3-carboxylic acid

C14H11NO2S — CID 620873

IUPAC10-methylphenothiazine-3-carboxylic acid
SMILESCN1c2ccccc2Sc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H11NO2S/c1-15-10-4-2-3-5-12(10)18-13-8-9(14(16)17)6-7-11(13)15/h2-8H,1H3,(H,16,17)
InChIKeyYKXHOFBPIMSOHH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.62
Rot. Bonds1

About 10-methylphenothiazine-3-carboxylic acid

10-methylphenothiazine-3-carboxylic acid (PubChem CID 620873) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 10-methylphenothiazine-3-carboxylic acid.

Molecular Properties

Compound Name10-methylphenothiazine-3-carboxylic acid
PubChem CID620873
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name10-methylphenothiazine-3-carboxylic acid
SMILESCN1c2ccccc2Sc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H11NO2S/c1-15-10-4-2-3-5-12(10)18-13-8-9(14(16)17)6-7-11(13)15/h2-8H,1H3,(H,16,17)
InChIKeyYKXHOFBPIMSOHH-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methylphenothiazine-3-carboxylic acid?
The IUPAC name of 10-methylphenothiazine-3-carboxylic acid (CID 620873) is 10-methylphenothiazine-3-carboxylic acid.
What is the SMILES notation for 10-methylphenothiazine-3-carboxylic acid?
The canonical SMILES for 10-methylphenothiazine-3-carboxylic acid is CN1c2ccccc2Sc2cc(C(=O)O)ccc21.
What is the InChIKey of 10-methylphenothiazine-3-carboxylic acid?
The InChIKey is YKXHOFBPIMSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-15-10-4-2-3-5-12(10)18-13-8-9(14(16)17)6-7-11(13)15/h2-8H,1H3,(H,16,17).
What are the key properties of 10-methylphenothiazine-3-carboxylic acid?
10-methylphenothiazine-3-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylphenothiazine-3-carboxylic acid is sourced from PubChem (CID 620873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).