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

C10H11NO2S — CID 768468

IUPAC7-ethoxy-4H-1,4-benzothiazin-3-one
SMILESCCOc1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-9(5-7)14-6-10(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyUYUUNYNVHRTORT-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.13
Rot. Bonds2

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

7-ethoxy-4H-1,4-benzothiazin-3-one (PubChem CID 768468) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 7-ethoxy-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-ethoxy-4H-1,4-benzothiazin-3-one
PubChem CID768468
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name7-ethoxy-4H-1,4-benzothiazin-3-one
SMILESCCOc1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-9(5-7)14-6-10(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyUYUUNYNVHRTORT-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-ethoxy-4H-1,4-benzothiazin-3-one (CID 768468) is 7-ethoxy-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-ethoxy-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-ethoxy-4H-1,4-benzothiazin-3-one is CCOc1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of 7-ethoxy-4H-1,4-benzothiazin-3-one?
The InChIKey is UYUUNYNVHRTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-9(5-7)14-6-10(12)11-8/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 7-ethoxy-4H-1,4-benzothiazin-3-one?
7-ethoxy-4H-1,4-benzothiazin-3-one has a molecular weight of 209.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 768468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).