2-(10-methylphenothiazin-2-yl)acetaldehyde

C15H13NOS — CID 87418442

IUPAC2-(10-methylphenothiazin-2-yl)acetaldehyde
SMILESCN1c2ccccc2Sc2ccc(CC=O)cc21
InChIInChI=1S/C15H13NOS/c1-16-12-4-2-3-5-14(12)18-15-7-6-11(8-9-17)10-13(15)16/h2-7,9-10H,8H2,1H3
InChIKeyCNURKKAIWBCWFI-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.66
Rot. Bonds2

About 2-(10-methylphenothiazin-2-yl)acetaldehyde

2-(10-methylphenothiazin-2-yl)acetaldehyde (PubChem CID 87418442) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(10-methylphenothiazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(10-methylphenothiazin-2-yl)acetaldehyde
PubChem CID87418442
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-(10-methylphenothiazin-2-yl)acetaldehyde
SMILESCN1c2ccccc2Sc2ccc(CC=O)cc21
InChIInChI=1S/C15H13NOS/c1-16-12-4-2-3-5-14(12)18-15-7-6-11(8-9-17)10-13(15)16/h2-7,9-10H,8H2,1H3
InChIKeyCNURKKAIWBCWFI-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.66
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 2-(10-methylphenothiazin-2-yl)acetaldehyde?
The IUPAC name of 2-(10-methylphenothiazin-2-yl)acetaldehyde (CID 87418442) is 2-(10-methylphenothiazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(10-methylphenothiazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(10-methylphenothiazin-2-yl)acetaldehyde is CN1c2ccccc2Sc2ccc(CC=O)cc21.
What is the InChIKey of 2-(10-methylphenothiazin-2-yl)acetaldehyde?
The InChIKey is CNURKKAIWBCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-16-12-4-2-3-5-14(12)18-15-7-6-11(8-9-17)10-13(15)16/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(10-methylphenothiazin-2-yl)acetaldehyde?
2-(10-methylphenothiazin-2-yl)acetaldehyde has a molecular weight of 255.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methylphenothiazin-2-yl)acetaldehyde is sourced from PubChem (CID 87418442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).