6-ethoxy-1,2-benzothiazol-3-one

C9H9NO2S — CID 54500484

IUPAC6-ethoxy-1,2-benzothiazol-3-one
SMILESCCOc1ccc2c(=O)[nH]sc2c1
InChIInChI=1S/C9H9NO2S/c1-2-12-6-3-4-7-8(5-6)13-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyYCBOEZYEWZSOGQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.99
Rot. Bonds2

About 6-ethoxy-1,2-benzothiazol-3-one

6-ethoxy-1,2-benzothiazol-3-one (PubChem CID 54500484) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-ethoxy-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name6-ethoxy-1,2-benzothiazol-3-one
PubChem CID54500484
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name6-ethoxy-1,2-benzothiazol-3-one
SMILESCCOc1ccc2c(=O)[nH]sc2c1
InChIInChI=1S/C9H9NO2S/c1-2-12-6-3-4-7-8(5-6)13-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyYCBOEZYEWZSOGQ-UHFFFAOYSA-N
XLogP1.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,2-benzothiazol-3-one?
The IUPAC name of 6-ethoxy-1,2-benzothiazol-3-one (CID 54500484) is 6-ethoxy-1,2-benzothiazol-3-one.
What is the SMILES notation for 6-ethoxy-1,2-benzothiazol-3-one?
The canonical SMILES for 6-ethoxy-1,2-benzothiazol-3-one is CCOc1ccc2c(=O)[nH]sc2c1.
What is the InChIKey of 6-ethoxy-1,2-benzothiazol-3-one?
The InChIKey is YCBOEZYEWZSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-2-12-6-3-4-7-8(5-6)13-10-9(7)11/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethoxy-1,2-benzothiazol-3-one?
6-ethoxy-1,2-benzothiazol-3-one has a molecular weight of 195.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,2-benzothiazol-3-one is sourced from PubChem (CID 54500484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).