2-bromo-1-phenyl-10H-phenothiazine

C18H12BrNS — CID 67530397

IUPAC2-bromo-1-phenyl-10H-phenothiazine
SMILESBrc1ccc2c(c1-c1ccccc1)Nc1ccccc1S2
InChIInChI=1S/C18H12BrNS/c19-13-10-11-16-18(17(13)12-6-2-1-3-7-12)20-14-8-4-5-9-15(14)21-16/h1-11,20H
InChIKeyNYDYGVPJZWAEEZ-UHFFFAOYSA-N
MW354.27 g/mol
LogP6.32
Rot. Bonds1

About 2-bromo-1-phenyl-10H-phenothiazine

2-bromo-1-phenyl-10H-phenothiazine (PubChem CID 67530397) has the molecular formula C18H12BrNS and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-bromo-1-phenyl-10H-phenothiazine.

Molecular Properties

Compound Name2-bromo-1-phenyl-10H-phenothiazine
PubChem CID67530397
Molecular FormulaC18H12BrNS
Molecular Weight354.27 g/mol
Exact Mass352.99
IUPAC Name2-bromo-1-phenyl-10H-phenothiazine
SMILESBrc1ccc2c(c1-c1ccccc1)Nc1ccccc1S2
InChIInChI=1S/C18H12BrNS/c19-13-10-11-16-18(17(13)12-6-2-1-3-7-12)20-14-8-4-5-9-15(14)21-16/h1-11,20H
InChIKeyNYDYGVPJZWAEEZ-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.27
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenyl-10H-phenothiazine?
The IUPAC name of 2-bromo-1-phenyl-10H-phenothiazine (CID 67530397) is 2-bromo-1-phenyl-10H-phenothiazine.
What is the SMILES notation for 2-bromo-1-phenyl-10H-phenothiazine?
The canonical SMILES for 2-bromo-1-phenyl-10H-phenothiazine is Brc1ccc2c(c1-c1ccccc1)Nc1ccccc1S2.
What is the InChIKey of 2-bromo-1-phenyl-10H-phenothiazine?
The InChIKey is NYDYGVPJZWAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNS/c19-13-10-11-16-18(17(13)12-6-2-1-3-7-12)20-14-8-4-5-9-15(14)21-16/h1-11,20H.
What are the key properties of 2-bromo-1-phenyl-10H-phenothiazine?
2-bromo-1-phenyl-10H-phenothiazine has a molecular weight of 354.27 g/mol, XLogP of 6.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-phenyl-10H-phenothiazine is sourced from PubChem (CID 67530397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).