10H-phenothiazine-1-carbaldehyde

C13H9NOS — CID 12553558

IUPAC10H-phenothiazine-1-carbaldehyde
SMILESO=Cc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9NOS/c15-8-9-4-3-7-12-13(9)14-10-5-1-2-6-11(10)16-12/h1-8,14H
InChIKeyPWQNELGVDHDWSM-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.71
Rot. Bonds1

About 10H-phenothiazine-1-carbaldehyde

10H-phenothiazine-1-carbaldehyde (PubChem CID 12553558) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 10H-phenothiazine-1-carbaldehyde.

Molecular Properties

Compound Name10H-phenothiazine-1-carbaldehyde
PubChem CID12553558
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name10H-phenothiazine-1-carbaldehyde
SMILESO=Cc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9NOS/c15-8-9-4-3-7-12-13(9)14-10-5-1-2-6-11(10)16-12/h1-8,14H
InChIKeyPWQNELGVDHDWSM-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.71
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 10H-phenothiazine-1-carbaldehyde?
The IUPAC name of 10H-phenothiazine-1-carbaldehyde (CID 12553558) is 10H-phenothiazine-1-carbaldehyde.
What is the SMILES notation for 10H-phenothiazine-1-carbaldehyde?
The canonical SMILES for 10H-phenothiazine-1-carbaldehyde is O=Cc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazine-1-carbaldehyde?
The InChIKey is PWQNELGVDHDWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-8-9-4-3-7-12-13(9)14-10-5-1-2-6-11(10)16-12/h1-8,14H.
What are the key properties of 10H-phenothiazine-1-carbaldehyde?
10H-phenothiazine-1-carbaldehyde has a molecular weight of 227.29 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazine-1-carbaldehyde is sourced from PubChem (CID 12553558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).