1-bromo-10H-phenothiazine

C12H8BrNS — CID 13082342

IUPAC1-bromo-10H-phenothiazine
SMILESBrc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8BrNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H
InChIKeySHBFKQWDAUMRON-UHFFFAOYSA-N
MW278.17 g/mol
LogP4.66
Rot. Bonds

About 1-bromo-10H-phenothiazine

1-bromo-10H-phenothiazine (PubChem CID 13082342) has the molecular formula C12H8BrNS and a molecular weight of 278.17 g/mol. Its IUPAC name is 1-bromo-10H-phenothiazine.

Molecular Properties

Compound Name1-bromo-10H-phenothiazine
PubChem CID13082342
Molecular FormulaC12H8BrNS
Molecular Weight278.17 g/mol
Exact Mass276.96
IUPAC Name1-bromo-10H-phenothiazine
SMILESBrc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8BrNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H
InChIKeySHBFKQWDAUMRON-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-bromo-10H-phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10H-phenothiazine?
The IUPAC name of 1-bromo-10H-phenothiazine (CID 13082342) is 1-bromo-10H-phenothiazine.
What is the SMILES notation for 1-bromo-10H-phenothiazine?
The canonical SMILES for 1-bromo-10H-phenothiazine is Brc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1-bromo-10H-phenothiazine?
The InChIKey is SHBFKQWDAUMRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H.
What are the key properties of 1-bromo-10H-phenothiazine?
1-bromo-10H-phenothiazine has a molecular weight of 278.17 g/mol, XLogP of 4.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10H-phenothiazine is sourced from PubChem (CID 13082342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).