2-bromo-10H-phenothiazine

C12H8BrNS — CID 13106350

IUPAC2-bromo-10H-phenothiazine
SMILESBrc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H8BrNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
InChIKeySXBVYXOFICMKHD-UHFFFAOYSA-N
MW278.17 g/mol
LogP4.66
Rot. Bonds

About 2-bromo-10H-phenothiazine

2-bromo-10H-phenothiazine (PubChem CID 13106350) has the molecular formula C12H8BrNS and a molecular weight of 278.17 g/mol. Its IUPAC name is 2-bromo-10H-phenothiazine.

Molecular Properties

Compound Name2-bromo-10H-phenothiazine
PubChem CID13106350
Molecular FormulaC12H8BrNS
Molecular Weight278.17 g/mol
Exact Mass276.96
IUPAC Name2-bromo-10H-phenothiazine
SMILESBrc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H8BrNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
InChIKeySXBVYXOFICMKHD-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-10H-phenothiazine?
The IUPAC name of 2-bromo-10H-phenothiazine (CID 13106350) is 2-bromo-10H-phenothiazine.
What is the SMILES notation for 2-bromo-10H-phenothiazine?
The canonical SMILES for 2-bromo-10H-phenothiazine is Brc1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 2-bromo-10H-phenothiazine?
The InChIKey is SXBVYXOFICMKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H.
What are the key properties of 2-bromo-10H-phenothiazine?
2-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 2-bromo-10H-phenothiazine is sourced from PubChem (CID 13106350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).