10H-phenothiazin-1-yl formate

C13H9NO2S — CID 57172562

IUPAC10H-phenothiazin-1-yl formate
SMILESO=COc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9NO2S/c15-8-16-10-5-3-7-12-13(10)14-9-4-1-2-6-11(9)17-12/h1-8,14H
InChIKeyHQGVOCFZYVDOGF-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.43
Rot. Bonds2

About 10H-phenothiazin-1-yl formate

10H-phenothiazin-1-yl formate (PubChem CID 57172562) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 10H-phenothiazin-1-yl formate.

Molecular Properties

Compound Name10H-phenothiazin-1-yl formate
PubChem CID57172562
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name10H-phenothiazin-1-yl formate
SMILESO=COc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9NO2S/c15-8-16-10-5-3-7-12-13(10)14-9-4-1-2-6-11(9)17-12/h1-8,14H
InChIKeyHQGVOCFZYVDOGF-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.43
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 10H-phenothiazin-1-yl formate?
The IUPAC name of 10H-phenothiazin-1-yl formate (CID 57172562) is 10H-phenothiazin-1-yl formate.
What is the SMILES notation for 10H-phenothiazin-1-yl formate?
The canonical SMILES for 10H-phenothiazin-1-yl formate is O=COc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazin-1-yl formate?
The InChIKey is HQGVOCFZYVDOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-8-16-10-5-3-7-12-13(10)14-9-4-1-2-6-11(9)17-12/h1-8,14H.
What are the key properties of 10H-phenothiazin-1-yl formate?
10H-phenothiazin-1-yl formate has a molecular weight of 243.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazin-1-yl formate is sourced from PubChem (CID 57172562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).