3-ethoxy-10H-phenothiazine

C14H13NOS — CID 86202346

IUPAC3-ethoxy-10H-phenothiazine
SMILESCCOc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C14H13NOS/c1-2-16-10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15-12/h3-9,15H,2H2,1H3
InChIKeyABEPZZSKYKNSIJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.29
Rot. Bonds2

About 3-ethoxy-10H-phenothiazine

3-ethoxy-10H-phenothiazine (PubChem CID 86202346) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-ethoxy-10H-phenothiazine.

Molecular Properties

Compound Name3-ethoxy-10H-phenothiazine
PubChem CID86202346
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3-ethoxy-10H-phenothiazine
SMILESCCOc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C14H13NOS/c1-2-16-10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15-12/h3-9,15H,2H2,1H3
InChIKeyABEPZZSKYKNSIJ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-10H-phenothiazine?
The IUPAC name of 3-ethoxy-10H-phenothiazine (CID 86202346) is 3-ethoxy-10H-phenothiazine.
What is the SMILES notation for 3-ethoxy-10H-phenothiazine?
The canonical SMILES for 3-ethoxy-10H-phenothiazine is CCOc1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of 3-ethoxy-10H-phenothiazine?
The InChIKey is ABEPZZSKYKNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-2-16-10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15-12/h3-9,15H,2H2,1H3.
What are the key properties of 3-ethoxy-10H-phenothiazine?
3-ethoxy-10H-phenothiazine has a molecular weight of 243.33 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-10H-phenothiazine is sourced from PubChem (CID 86202346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).