3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide

C20H17NOS — CID 59573079

IUPAC3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide
SMILESCc1ccc2c(c1)S(=O)c1ccccc1N2c1ccccc1C
InChIInChI=1S/C20H17NOS/c1-14-11-12-18-20(13-14)23(22)19-10-6-5-9-17(19)21(18)16-8-4-3-7-15(16)2/h3-13H,1-2H3
InChIKeyOMOQIXWFTPFNGZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.25
Rot. Bonds1

About 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide

3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide (PubChem CID 59573079) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide.

Molecular Properties

Compound Name3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide
PubChem CID59573079
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide
SMILESCc1ccc2c(c1)S(=O)c1ccccc1N2c1ccccc1C
InChIInChI=1S/C20H17NOS/c1-14-11-12-18-20(13-14)23(22)19-10-6-5-9-17(19)21(18)16-8-4-3-7-15(16)2/h3-13H,1-2H3
InChIKeyOMOQIXWFTPFNGZ-UHFFFAOYSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide?
The IUPAC name of 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide (CID 59573079) is 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide.
What is the SMILES notation for 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide?
The canonical SMILES for 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide is Cc1ccc2c(c1)S(=O)c1ccccc1N2c1ccccc1C.
What is the InChIKey of 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide?
The InChIKey is OMOQIXWFTPFNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c1-14-11-12-18-20(13-14)23(22)19-10-6-5-9-17(19)21(18)16-8-4-3-7-15(16)2/h3-13H,1-2H3.
What are the key properties of 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide?
3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide has a molecular weight of 319.43 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide is sourced from PubChem (CID 59573079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).