3,7-dibromo-10-methylphenothiazine

C13H9Br2NS — CID 10915650

IUPAC3,7-dibromo-10-methylphenothiazine
SMILESCN1c2ccc(Br)cc2Sc2cc(Br)ccc21
InChIInChI=1S/C13H9Br2NS/c1-16-10-4-2-8(14)6-12(10)17-13-7-9(15)3-5-11(13)16/h2-7H,1H3
InChIKeyMCAPNDGAMBCNKU-UHFFFAOYSA-N
MW371.10 g/mol
LogP5.44
Rot. Bonds

About 3,7-dibromo-10-methylphenothiazine

3,7-dibromo-10-methylphenothiazine (PubChem CID 10915650) has the molecular formula C13H9Br2NS and a molecular weight of 371.10 g/mol. Its IUPAC name is 3,7-dibromo-10-methylphenothiazine.

Molecular Properties

Compound Name3,7-dibromo-10-methylphenothiazine
PubChem CID10915650
Molecular FormulaC13H9Br2NS
Molecular Weight371.10 g/mol
Exact Mass368.88
IUPAC Name3,7-dibromo-10-methylphenothiazine
SMILESCN1c2ccc(Br)cc2Sc2cc(Br)ccc21
InChIInChI=1S/C13H9Br2NS/c1-16-10-4-2-8(14)6-12(10)17-13-7-9(15)3-5-11(13)16/h2-7H,1H3
InChIKeyMCAPNDGAMBCNKU-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.10
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-10-methylphenothiazine?
The IUPAC name of 3,7-dibromo-10-methylphenothiazine (CID 10915650) is 3,7-dibromo-10-methylphenothiazine.
What is the SMILES notation for 3,7-dibromo-10-methylphenothiazine?
The canonical SMILES for 3,7-dibromo-10-methylphenothiazine is CN1c2ccc(Br)cc2Sc2cc(Br)ccc21.
What is the InChIKey of 3,7-dibromo-10-methylphenothiazine?
The InChIKey is MCAPNDGAMBCNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NS/c1-16-10-4-2-8(14)6-12(10)17-13-7-9(15)3-5-11(13)16/h2-7H,1H3.
What are the key properties of 3,7-dibromo-10-methylphenothiazine?
3,7-dibromo-10-methylphenothiazine has a molecular weight of 371.10 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-10-methylphenothiazine is sourced from PubChem (CID 10915650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).