2-methoxy-10H-phenothiazine-1-carbaldehyde

C14H11NO2S — CID 22646428

IUPAC2-methoxy-10H-phenothiazine-1-carbaldehyde
SMILESCOc1ccc2c(c1C=O)Nc1ccccc1S2
InChIInChI=1S/C14H11NO2S/c1-17-11-6-7-13-14(9(11)8-16)15-10-4-2-3-5-12(10)18-13/h2-8,15H,1H3
InChIKeyIMMDINIJTWXURC-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.72
Rot. Bonds2

About 2-methoxy-10H-phenothiazine-1-carbaldehyde

2-methoxy-10H-phenothiazine-1-carbaldehyde (PubChem CID 22646428) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methoxy-10H-phenothiazine-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-10H-phenothiazine-1-carbaldehyde
PubChem CID22646428
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-methoxy-10H-phenothiazine-1-carbaldehyde
SMILESCOc1ccc2c(c1C=O)Nc1ccccc1S2
InChIInChI=1S/C14H11NO2S/c1-17-11-6-7-13-14(9(11)8-16)15-10-4-2-3-5-12(10)18-13/h2-8,15H,1H3
InChIKeyIMMDINIJTWXURC-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
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 2-methoxy-10H-phenothiazine-1-carbaldehyde?
The IUPAC name of 2-methoxy-10H-phenothiazine-1-carbaldehyde (CID 22646428) is 2-methoxy-10H-phenothiazine-1-carbaldehyde.
What is the SMILES notation for 2-methoxy-10H-phenothiazine-1-carbaldehyde?
The canonical SMILES for 2-methoxy-10H-phenothiazine-1-carbaldehyde is COc1ccc2c(c1C=O)Nc1ccccc1S2.
What is the InChIKey of 2-methoxy-10H-phenothiazine-1-carbaldehyde?
The InChIKey is IMMDINIJTWXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-11-6-7-13-14(9(11)8-16)15-10-4-2-3-5-12(10)18-13/h2-8,15H,1H3.
What are the key properties of 2-methoxy-10H-phenothiazine-1-carbaldehyde?
2-methoxy-10H-phenothiazine-1-carbaldehyde has a molecular weight of 257.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10H-phenothiazine-1-carbaldehyde is sourced from PubChem (CID 22646428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).