7-ethylbenzo[c]phenothiazine 12-oxide

C18H15NOS — CID 615566

IUPAC7-ethylbenzo[c]phenothiazine 12-oxide
SMILESCCN1c2ccccc2S(=O)c2c1ccc1ccccc21
InChIInChI=1S/C18H15NOS/c1-2-19-15-9-5-6-10-17(15)21(20)18-14-8-4-3-7-13(14)11-12-16(18)19/h3-12H,2H2,1H3
InChIKeyIHRIVMHANBBEPZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.48
Rot. Bonds1

About 7-ethylbenzo[c]phenothiazine 12-oxide

7-ethylbenzo[c]phenothiazine 12-oxide (PubChem CID 615566) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 7-ethylbenzo[c]phenothiazine 12-oxide.

Molecular Properties

Compound Name7-ethylbenzo[c]phenothiazine 12-oxide
PubChem CID615566
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name7-ethylbenzo[c]phenothiazine 12-oxide
SMILESCCN1c2ccccc2S(=O)c2c1ccc1ccccc21
InChIInChI=1S/C18H15NOS/c1-2-19-15-9-5-6-10-17(15)21(20)18-14-8-4-3-7-13(14)11-12-16(18)19/h3-12H,2H2,1H3
InChIKeyIHRIVMHANBBEPZ-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethylbenzo[c]phenothiazine 12-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethylbenzo[c]phenothiazine 12-oxide?
The IUPAC name of 7-ethylbenzo[c]phenothiazine 12-oxide (CID 615566) is 7-ethylbenzo[c]phenothiazine 12-oxide.
What is the SMILES notation for 7-ethylbenzo[c]phenothiazine 12-oxide?
The canonical SMILES for 7-ethylbenzo[c]phenothiazine 12-oxide is CCN1c2ccccc2S(=O)c2c1ccc1ccccc21.
What is the InChIKey of 7-ethylbenzo[c]phenothiazine 12-oxide?
The InChIKey is IHRIVMHANBBEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-2-19-15-9-5-6-10-17(15)21(20)18-14-8-4-3-7-13(14)11-12-16(18)19/h3-12H,2H2,1H3.
What are the key properties of 7-ethylbenzo[c]phenothiazine 12-oxide?
7-ethylbenzo[c]phenothiazine 12-oxide has a molecular weight of 293.39 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylbenzo[c]phenothiazine 12-oxide is sourced from PubChem (CID 615566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).