1-methyl-10H-phenothiazine-4-carbaldehyde

C14H11NOS — CID 150565297

IUPAC1-methyl-10H-phenothiazine-4-carbaldehyde
SMILESCc1ccc(C=O)c2c1Nc1ccccc1S2
InChIInChI=1S/C14H11NOS/c1-9-6-7-10(8-16)14-13(9)15-11-4-2-3-5-12(11)17-14/h2-8,15H,1H3
InChIKeyIKSBVLGNEMQCHY-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.02
Rot. Bonds1

About 1-methyl-10H-phenothiazine-4-carbaldehyde

1-methyl-10H-phenothiazine-4-carbaldehyde (PubChem CID 150565297) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-methyl-10H-phenothiazine-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-10H-phenothiazine-4-carbaldehyde
PubChem CID150565297
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name1-methyl-10H-phenothiazine-4-carbaldehyde
SMILESCc1ccc(C=O)c2c1Nc1ccccc1S2
InChIInChI=1S/C14H11NOS/c1-9-6-7-10(8-16)14-13(9)15-11-4-2-3-5-12(11)17-14/h2-8,15H,1H3
InChIKeyIKSBVLGNEMQCHY-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
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 1-methyl-10H-phenothiazine-4-carbaldehyde?
The IUPAC name of 1-methyl-10H-phenothiazine-4-carbaldehyde (CID 150565297) is 1-methyl-10H-phenothiazine-4-carbaldehyde.
What is the SMILES notation for 1-methyl-10H-phenothiazine-4-carbaldehyde?
The canonical SMILES for 1-methyl-10H-phenothiazine-4-carbaldehyde is Cc1ccc(C=O)c2c1Nc1ccccc1S2.
What is the InChIKey of 1-methyl-10H-phenothiazine-4-carbaldehyde?
The InChIKey is IKSBVLGNEMQCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-6-7-10(8-16)14-13(9)15-11-4-2-3-5-12(11)17-14/h2-8,15H,1H3.
What are the key properties of 1-methyl-10H-phenothiazine-4-carbaldehyde?
1-methyl-10H-phenothiazine-4-carbaldehyde has a molecular weight of 241.32 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10H-phenothiazine-4-carbaldehyde is sourced from PubChem (CID 150565297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).