3,10-dimethylphenothiazine

C14H13NS — CID 638530

IUPAC3,10-dimethylphenothiazine
SMILESCc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C14H13NS/c1-10-7-8-12-14(9-10)16-13-6-4-3-5-11(13)15(12)2/h3-9H,1-2H3
InChIKeyAZPOCVJZEQLNKZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.23
Rot. Bonds

About 3,10-dimethylphenothiazine

3,10-dimethylphenothiazine (PubChem CID 638530) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3,10-dimethylphenothiazine.

Molecular Properties

Compound Name3,10-dimethylphenothiazine
PubChem CID638530
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name3,10-dimethylphenothiazine
SMILESCc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C14H13NS/c1-10-7-8-12-14(9-10)16-13-6-4-3-5-11(13)15(12)2/h3-9H,1-2H3
InChIKeyAZPOCVJZEQLNKZ-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethylphenothiazine?
The IUPAC name of 3,10-dimethylphenothiazine (CID 638530) is 3,10-dimethylphenothiazine.
What is the SMILES notation for 3,10-dimethylphenothiazine?
The canonical SMILES for 3,10-dimethylphenothiazine is Cc1ccc2c(c1)Sc1ccccc1N2C.
What is the InChIKey of 3,10-dimethylphenothiazine?
The InChIKey is AZPOCVJZEQLNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-10-7-8-12-14(9-10)16-13-6-4-3-5-11(13)15(12)2/h3-9H,1-2H3.
What are the key properties of 3,10-dimethylphenothiazine?
3,10-dimethylphenothiazine has a molecular weight of 227.33 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethylphenothiazine is sourced from PubChem (CID 638530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).