10-methylphenothiazine-3-carbaldehyde

C14H11NOS — CID 617826

IUPAC10-methylphenothiazine-3-carbaldehyde
SMILESCN1c2ccccc2Sc2cc(C=O)ccc21
InChIInChI=1S/C14H11NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChIKeyDZCOHLCHTVMOJU-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.73
Rot. Bonds1

About 10-methylphenothiazine-3-carbaldehyde

10-methylphenothiazine-3-carbaldehyde (PubChem CID 617826) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 10-methylphenothiazine-3-carbaldehyde.

Molecular Properties

Compound Name10-methylphenothiazine-3-carbaldehyde
PubChem CID617826
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name10-methylphenothiazine-3-carbaldehyde
SMILESCN1c2ccccc2Sc2cc(C=O)ccc21
InChIInChI=1S/C14H11NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChIKeyDZCOHLCHTVMOJU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylphenothiazine-3-carbaldehyde?
The IUPAC name of 10-methylphenothiazine-3-carbaldehyde (CID 617826) is 10-methylphenothiazine-3-carbaldehyde.
What is the SMILES notation for 10-methylphenothiazine-3-carbaldehyde?
The canonical SMILES for 10-methylphenothiazine-3-carbaldehyde is CN1c2ccccc2Sc2cc(C=O)ccc21.
What is the InChIKey of 10-methylphenothiazine-3-carbaldehyde?
The InChIKey is DZCOHLCHTVMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-9H,1H3.
What are the key properties of 10-methylphenothiazine-3-carbaldehyde?
10-methylphenothiazine-3-carbaldehyde has a molecular weight of 241.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylphenothiazine-3-carbaldehyde is sourced from PubChem (CID 617826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).