10-(2,6-dimethoxy-4-methylphenyl)phenothiazine

C21H19NO2S — CID 59572271

IUPAC10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H19NO2S/c1-14-12-17(23-2)21(18(13-14)24-3)22-15-8-4-6-10-19(15)25-20-11-7-5-9-16(20)22/h4-13H,1-3H3
InChIKeyFOBFWJIBIQOZIJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.95
Rot. Bonds3

About 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine

10-(2,6-dimethoxy-4-methylphenyl)phenothiazine (PubChem CID 59572271) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
PubChem CID59572271
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H19NO2S/c1-14-12-17(23-2)21(18(13-14)24-3)22-15-8-4-6-10-19(15)25-20-11-7-5-9-16(20)22/h4-13H,1-3H3
InChIKeyFOBFWJIBIQOZIJ-UHFFFAOYSA-N
XLogP5.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
The IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine (CID 59572271) is 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine.
What is the SMILES notation for 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
The canonical SMILES for 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine is COc1cc(C)cc(OC)c1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
The InChIKey is FOBFWJIBIQOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14-12-17(23-2)21(18(13-14)24-3)22-15-8-4-6-10-19(15)25-20-11-7-5-9-16(20)22/h4-13H,1-3H3.
What are the key properties of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
10-(2,6-dimethoxy-4-methylphenyl)phenothiazine has a molecular weight of 349.46 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine is sourced from PubChem (CID 59572271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).