2-benzyl-10H-phenothiazine

C19H15NS — CID 162673227

IUPAC2-benzyl-10H-phenothiazine
SMILESc1ccc(Cc2ccc3c(c2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H15NS/c1-2-6-14(7-3-1)12-15-10-11-19-17(13-15)20-16-8-4-5-9-18(16)21-19/h1-11,13,20H,12H2
InChIKeyXLKSMVZFYHUZRS-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.49
Rot. Bonds2

About 2-benzyl-10H-phenothiazine

2-benzyl-10H-phenothiazine (PubChem CID 162673227) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-benzyl-10H-phenothiazine.

Molecular Properties

Compound Name2-benzyl-10H-phenothiazine
PubChem CID162673227
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name2-benzyl-10H-phenothiazine
SMILESc1ccc(Cc2ccc3c(c2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H15NS/c1-2-6-14(7-3-1)12-15-10-11-19-17(13-15)20-16-8-4-5-9-18(16)21-19/h1-11,13,20H,12H2
InChIKeyXLKSMVZFYHUZRS-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-10H-phenothiazine?
The IUPAC name of 2-benzyl-10H-phenothiazine (CID 162673227) is 2-benzyl-10H-phenothiazine.
What is the SMILES notation for 2-benzyl-10H-phenothiazine?
The canonical SMILES for 2-benzyl-10H-phenothiazine is c1ccc(Cc2ccc3c(c2)Nc2ccccc2S3)cc1.
What is the InChIKey of 2-benzyl-10H-phenothiazine?
The InChIKey is XLKSMVZFYHUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-2-6-14(7-3-1)12-15-10-11-19-17(13-15)20-16-8-4-5-9-18(16)21-19/h1-11,13,20H,12H2.
What are the key properties of 2-benzyl-10H-phenothiazine?
2-benzyl-10H-phenothiazine has a molecular weight of 289.40 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-10H-phenothiazine is sourced from PubChem (CID 162673227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).