1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine

C16H17NO2S — CID 137437136

IUPAC1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine
SMILESCOC1=C(OC)C2=Nc3cc(C)ccc3SC2=C(C)C1
InChIInChI=1S/C16H17NO2S/c1-9-5-6-13-11(7-9)17-14-15(19-4)12(18-3)8-10(2)16(14)20-13/h5-7H,8H2,1-4H3
InChIKeyMKFYKJDKOIBUIO-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.36
Rot. Bonds2

About 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine

1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine (PubChem CID 137437136) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine.

Molecular Properties

Compound Name1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine
PubChem CID137437136
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine
SMILESCOC1=C(OC)C2=Nc3cc(C)ccc3SC2=C(C)C1
InChIInChI=1S/C16H17NO2S/c1-9-5-6-13-11(7-9)17-14-15(19-4)12(18-3)8-10(2)16(14)20-13/h5-7H,8H2,1-4H3
InChIKeyMKFYKJDKOIBUIO-UHFFFAOYSA-N
XLogP4.36
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine?
The IUPAC name of 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine (CID 137437136) is 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine.
What is the SMILES notation for 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine?
The canonical SMILES for 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine is COC1=C(OC)C2=Nc3cc(C)ccc3SC2=C(C)C1.
What is the InChIKey of 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine?
The InChIKey is MKFYKJDKOIBUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-9-5-6-13-11(7-9)17-14-15(19-4)12(18-3)8-10(2)16(14)20-13/h5-7H,8H2,1-4H3.
What are the key properties of 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine?
1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine has a molecular weight of 287.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine is sourced from PubChem (CID 137437136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).