6-chlorobenzo[a]phenothiazin-5-one

C16H8ClNOS — CID 626799

IUPAC6-chlorobenzo[a]phenothiazin-5-one
SMILESO=c1c(Cl)c2sc3ccccc3nc-2c2ccccc12
InChIInChI=1S/C16H8ClNOS/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H
InChIKeyZUZCXZWQSZASNG-UHFFFAOYSA-N
MW297.77 g/mol
LogP4.57
Rot. Bonds

About 6-chlorobenzo[a]phenothiazin-5-one

6-chlorobenzo[a]phenothiazin-5-one (PubChem CID 626799) has the molecular formula C16H8ClNOS and a molecular weight of 297.77 g/mol. Its IUPAC name is 6-chlorobenzo[a]phenothiazin-5-one.

Molecular Properties

Compound Name6-chlorobenzo[a]phenothiazin-5-one
PubChem CID626799
Molecular FormulaC16H8ClNOS
Molecular Weight297.77 g/mol
Exact Mass297.00
IUPAC Name6-chlorobenzo[a]phenothiazin-5-one
SMILESO=c1c(Cl)c2sc3ccccc3nc-2c2ccccc12
InChIInChI=1S/C16H8ClNOS/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H
InChIKeyZUZCXZWQSZASNG-UHFFFAOYSA-N
XLogP4.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-(4-Chlorophenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 3106303
Benzo[a]phenothiazin-5-one
CID 3011792
10a-(4-Chlorophenyl)indeno[2,1-b][1,4]benzothiazin-11-one
CID 60165547
8-Methyl-10a-phenylindeno[2,1-b][1,4]benzothiazin-11-one
CID 60167458
6-Methyl-5H-benzo(a)phenothiazin-5-one
CID 279441
10a-(4-Methylphenyl)indeno[2,1-b][1,4]benzothiazin-11-one
CID 60165546
10a-(4-Chlorophenyl)-8-methylindeno[2,1-b][1,4]benzothiazin-11-one
CID 60165548
10a-Phenylindeno[2,1-b][1,4]benzothiazin-11-one
CID 60167457
8-Chloro-1,4-diphenyl-phenothiazin-3-one
CID 279438
6,10-Dichloro-5h-benzo[a]phenothiazin-5-one
CID 279442
9H-anthra[1,9-bc][1,5]benzothiazepin-9-one
CID 848563
6-Phenylbenzo[a]phenothiazin-5-one
CID 3108036

Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzo[a]phenothiazin-5-one?
The IUPAC name of 6-chlorobenzo[a]phenothiazin-5-one (CID 626799) is 6-chlorobenzo[a]phenothiazin-5-one.
What is the SMILES notation for 6-chlorobenzo[a]phenothiazin-5-one?
The canonical SMILES for 6-chlorobenzo[a]phenothiazin-5-one is O=c1c(Cl)c2sc3ccccc3nc-2c2ccccc12.
What is the InChIKey of 6-chlorobenzo[a]phenothiazin-5-one?
The InChIKey is ZUZCXZWQSZASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNOS/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H.
What are the key properties of 6-chlorobenzo[a]phenothiazin-5-one?
6-chlorobenzo[a]phenothiazin-5-one has a molecular weight of 297.77 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzo[a]phenothiazin-5-one is sourced from PubChem (CID 626799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).