7-acetyl-4H-1,4-benzothiazin-3-one

C10H9NO2S — CID 19744003

IUPAC7-acetyl-4H-1,4-benzothiazin-3-one
SMILESCC(=O)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C10H9NO2S/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)
InChIKeyLLWARJUUYDEUDZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.93
Rot. Bonds1

About 7-acetyl-4H-1,4-benzothiazin-3-one

7-acetyl-4H-1,4-benzothiazin-3-one (PubChem CID 19744003) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-acetyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-acetyl-4H-1,4-benzothiazin-3-one
PubChem CID19744003
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name7-acetyl-4H-1,4-benzothiazin-3-one
SMILESCC(=O)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C10H9NO2S/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)
InChIKeyLLWARJUUYDEUDZ-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-acetyl-4H-1,4-benzothiazin-3-one (CID 19744003) is 7-acetyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-acetyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-acetyl-4H-1,4-benzothiazin-3-one is CC(=O)c1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of 7-acetyl-4H-1,4-benzothiazin-3-one?
The InChIKey is LLWARJUUYDEUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 7-acetyl-4H-1,4-benzothiazin-3-one?
7-acetyl-4H-1,4-benzothiazin-3-one has a molecular weight of 207.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 19744003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).