3,7-dimethoxy-10H-phenothiazine

C14H13NO2S — CID 621196

IUPAC3,7-dimethoxy-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc(OC)ccc1N2
InChIInChI=1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChIKeyOZYCUQNWECHWDU-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.91
Rot. Bonds2

About 3,7-dimethoxy-10H-phenothiazine

3,7-dimethoxy-10H-phenothiazine (PubChem CID 621196) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3,7-dimethoxy-10H-phenothiazine.

Molecular Properties

Compound Name3,7-dimethoxy-10H-phenothiazine
PubChem CID621196
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name3,7-dimethoxy-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc(OC)ccc1N2
InChIInChI=1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChIKeyOZYCUQNWECHWDU-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-10H-phenothiazine?
The IUPAC name of 3,7-dimethoxy-10H-phenothiazine (CID 621196) is 3,7-dimethoxy-10H-phenothiazine.
What is the SMILES notation for 3,7-dimethoxy-10H-phenothiazine?
The canonical SMILES for 3,7-dimethoxy-10H-phenothiazine is COc1ccc2c(c1)Sc1cc(OC)ccc1N2.
What is the InChIKey of 3,7-dimethoxy-10H-phenothiazine?
The InChIKey is OZYCUQNWECHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3.
What are the key properties of 3,7-dimethoxy-10H-phenothiazine?
3,7-dimethoxy-10H-phenothiazine has a molecular weight of 259.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-10H-phenothiazine is sourced from PubChem (CID 621196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).