10-methyl-5,5-dioxophenothiazine-3-carbaldehyde

C14H11NO3S — CID 86648277

IUPAC10-methyl-5,5-dioxophenothiazine-3-carbaldehyde
SMILESCN1c2ccccc2S(=O)(=O)c2cc(C=O)ccc21
InChIInChI=1S/C14H11NO3S/c1-15-11-4-2-3-5-13(11)19(17,18)14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChIKeyZBSYAONMNOLNLD-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.41
Rot. Bonds1

About 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde

10-methyl-5,5-dioxophenothiazine-3-carbaldehyde (PubChem CID 86648277) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde.

Molecular Properties

Compound Name10-methyl-5,5-dioxophenothiazine-3-carbaldehyde
PubChem CID86648277
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name10-methyl-5,5-dioxophenothiazine-3-carbaldehyde
SMILESCN1c2ccccc2S(=O)(=O)c2cc(C=O)ccc21
InChIInChI=1S/C14H11NO3S/c1-15-11-4-2-3-5-13(11)19(17,18)14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChIKeyZBSYAONMNOLNLD-UHFFFAOYSA-N
XLogP2.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde?
The IUPAC name of 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde (CID 86648277) is 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde.
What is the SMILES notation for 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde?
The canonical SMILES for 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde is CN1c2ccccc2S(=O)(=O)c2cc(C=O)ccc21.
What is the InChIKey of 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde?
The InChIKey is ZBSYAONMNOLNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-15-11-4-2-3-5-13(11)19(17,18)14-8-10(9-16)6-7-12(14)15/h2-9H,1H3.
What are the key properties of 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde?
10-methyl-5,5-dioxophenothiazine-3-carbaldehyde has a molecular weight of 273.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5,5-dioxophenothiazine-3-carbaldehyde is sourced from PubChem (CID 86648277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).